Product Name

  • Name

    Vancomycin

  • EINECS 215-772-6
  • CAS No. 1404-90-6
  • Article Data8
  • CAS DataBase
  • Density 1.657 g/cm3
  • Solubility
  • Melting Point
  • Formula C66H75Cl2N9O24
  • Boiling Point
  • Molecular Weight 1449.27
  • Flash Point
  • Transport Information
  • Appearance Almost white powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1404-90-6 (Vancomycin)
  • Hazard Symbols
  • Synonyms 22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylicacid, 3-(2-amino-2-oxoethyl)-44-[[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-b-D-glucopyranosyl]oxy]-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-[[4-methyl-2-(methylamino)-1-oxopentyl]amino]-2,5,24,38,39-pentaoxo-,[3S-[3R*,6S*(S*),7S*,22S*,23R*,26R*,36S*,38aS*]]-;Diatracin;Vancocin;VancocinCP;Vancocine;Vancoled;Vancoplus;
  • PSA 530.49000
  • LogP 4.73460

Synthetic route

UDP-vancosamine

UDP-vancosamine

desvancosaminyl vancomycin
101485-50-1

desvancosaminyl vancomycin

vancomycin
1404-90-6

vancomycin

Conditions
ConditionsYield
With tris(2-carboxyethyl)phosphine; glycosyltransferase GtfD; bovine serum albumin In glycerol at 37℃; for 1.5h; Enzymatic reaction;87%
C82H87Cl2N9O28

C82H87Cl2N9O28

vancomycin
1404-90-6

vancomycin

Conditions
ConditionsYield
With ammonium bicarbonate; palladium on activated charcoal In acetic acid at 23℃; for 4h; Hydrogenolysis;81%
With ammonium formate; acetic acid; 10percent Pd/C In methanol at 23℃; for 4h;81%
N,N'-dialloc-tri-O-allyl vancomycin allyl ester
216668-88-1

N,N'-dialloc-tri-O-allyl vancomycin allyl ester

vancomycin
1404-90-6

vancomycin

Conditions
ConditionsYield
With bis(triphenylphosphine)palladium(II) dichloride; tri-n-butyl-tin hydride In acetic acid; N,N-dimethyl-formamide for 0.166667h; Ambient temperature;78%
vancomycin - Nα,Nε-diacetyl-L-Lys-D-Ala-D-Ala - complex

vancomycin - Nα,Nε-diacetyl-L-Lys-D-Ala-D-Ala - complex

A

(R)-2-[(R)-2-((S)-2,6-Bis-acetylamino-hexanoylamino)-propionylamino]-propionic acid
24570-39-6

(R)-2-[(R)-2-((S)-2,6-Bis-acetylamino-hexanoylamino)-propionylamino]-propionic acid

B

vancomycin
1404-90-6

vancomycin

Conditions
ConditionsYield
With sodium citrate at 25℃; Equilibrium constant; pH 5.1;
vancomycin - Nα-(fluoresceinylthiocarbamoyl)-Nω-acetyl-L-Lys-D-Ala-D-Ala complex

vancomycin - Nα-(fluoresceinylthiocarbamoyl)-Nω-acetyl-L-Lys-D-Ala-D-Ala complex

A

vancomycin
1404-90-6

vancomycin

B

Nα-(fluoresceinylthiocarbamoyl)-Nω-acetyl-L-Lys-D-Ala-D-Ala

Nα-(fluoresceinylthiocarbamoyl)-Nω-acetyl-L-Lys-D-Ala-D-Ala

Conditions
ConditionsYield
With sodium citrate at 25℃; Equilibrium constant; pH 5.1;
N-Demethylvancomycin

N-Demethylvancomycin

(S)-adenosyl-L-methionine

(S)-adenosyl-L-methionine

vancomycin
1404-90-6

vancomycin

Conditions
ConditionsYield
With Tris-HCl buffer; N-methyltransferase at 25℃; for 24h; pH=7.5; Methylation; Enzymatic reaction;
C67H77Cl2N9O24

C67H77Cl2N9O24

vancomycin
1404-90-6

vancomycin

Conditions
ConditionsYield
With lithium hydroxide; water In tetrahydrofuran at 0℃; for 0.333333h; Hydrolysis;
desvancosaminyl vancomycin
101485-50-1

desvancosaminyl vancomycin

thymidine 5'-(3-amino-2,3,6-trideoxy-3C-methyl-β-L-lyxo-hexopyranosyl diphosphate)
755033-86-4

thymidine 5'-(3-amino-2,3,6-trideoxy-3C-methyl-β-L-lyxo-hexopyranosyl diphosphate)

vancomycin
1404-90-6

vancomycin

Conditions
ConditionsYield
With glycosyltransferase GtfD Enzyme kinetics; Further Variations:; Reagents;
vancomycin
1404-90-6

vancomycin

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide
82911-69-1

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

C96H95Cl2N9O28

C96H95Cl2N9O28

Conditions
ConditionsYield
With sodium hydrogencarbonate In 1,4-dioxane; water100%
1-amino-2-azidoethane
87156-40-9

1-amino-2-azidoethane

vancomycin
1404-90-6

vancomycin

C68H79Cl2N13O23

C68H79Cl2N13O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;100%
3-azidopropylamine
88192-19-2

3-azidopropylamine

vancomycin
1404-90-6

vancomycin

C69H81Cl2N13O23

C69H81Cl2N13O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;100%
vancomycin
1404-90-6

vancomycin

6-azido-hexylamine
349553-73-7

6-azido-hexylamine

C72H87Cl2N13O23

C72H87Cl2N13O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;100%
7-amino-1-heptyne
14502-42-2

7-amino-1-heptyne

vancomycin
1404-90-6

vancomycin

C73H86Cl2N10O23

C73H86Cl2N10O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;100%
1-amino-pent-4-yne
15252-44-5

1-amino-pent-4-yne

vancomycin
1404-90-6

vancomycin

C71H82Cl2N10O23

C71H82Cl2N10O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;97%
Stage #1: vancomycin With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide for 0.0833333h;
Stage #2: 1-amino-pent-4-yne With 4-methyl-morpholine In N,N-dimethyl-formamide at 20℃; pH=8;
vancomycin
1404-90-6

vancomycin

1-azido-5-aminopentane
148759-41-5

1-azido-5-aminopentane

C71H85Cl2N13O23

C71H85Cl2N13O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;96%
but-3-yn-1-amine
14044-63-4

but-3-yn-1-amine

vancomycin
1404-90-6

vancomycin

C70H80Cl2N10O23

C70H80Cl2N10O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;95%
Stage #1: vancomycin With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide for 0.0833333h;
Stage #2: but-3-yn-1-amine With 4-methyl-morpholine In N,N-dimethyl-formamide at 20℃; pH=8;
vancomycin
1404-90-6

vancomycin

4-azidobutan-1-amine
88192-20-5

4-azidobutan-1-amine

C70H83Cl2N13O23

C70H83Cl2N13O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;93%
1-amino-5-hexyne
15252-45-6

1-amino-5-hexyne

vancomycin
1404-90-6

vancomycin

C72H84Cl2N10O23

C72H84Cl2N10O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;93%
vancomycin
1404-90-6

vancomycin

Propargylamine
2450-71-7

Propargylamine

C69H78Cl2N10O23

C69H78Cl2N10O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;92%
With 1-hydroxy-pyrrolidine-2,5-dione; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere;
Stage #1: vancomycin With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide for 0.0833333h;
Stage #2: Propargylamine With 4-methyl-morpholine In N,N-dimethyl-formamide at 20℃; pH=8;
vancomycin
1404-90-6

vancomycin

vancomycin aglycon
82198-76-3

vancomycin aglycon

Conditions
ConditionsYield
With hydrogen fluoride In methoxybenzene at 25℃; for 2h;91%
With hydrogenchloride; water Hydrolysis; Heating;81%
With trifluoroacetic acid at 50℃; for 3h;
With hydrogenchloride at 70℃; for 0.0833333h;
C6H14N4O3

C6H14N4O3

vancomycin
1404-90-6

vancomycin

C74H91Cl2N13O26

C74H91Cl2N13O26

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 23℃;88%
vancomycin
1404-90-6

vancomycin

biotin N-Hydroxysuccinimide ester
35013-72-0

biotin N-Hydroxysuccinimide ester

C76H89Cl2N11O26S

C76H89Cl2N11O26S

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide Condensation;81%
CH4*C23H35N3O4

CH4*C23H35N3O4

vancomycin
1404-90-6

vancomycin

C89H110Cl2N12O27

C89H110Cl2N12O27

Conditions
ConditionsYield
Stage #1: CH4*C23H35N3O4; vancomycin With N-ethyl-N,N-diisopropylamine In methanol; N,N-dimethyl-formamide at 75℃; for 2h;
Stage #2: With sodium cyanoborohydride In methanol; N,N-dimethyl-formamide at 75℃; for 48h;		81%
fluorescein isothiocyanate
3326-31-6

fluorescein isothiocyanate

vancomycin
1404-90-6

vancomycin

C87H86Cl2N10O29S

C87H86Cl2N10O29S

Conditions
ConditionsYield
With triethylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; Inert atmosphere;78%
vancomycin
1404-90-6

vancomycin

4'-chlorobiphenyl-4-carbaldehyde
80565-30-6

4'-chlorobiphenyl-4-carbaldehyde

N-4-(4’-chlorobiphenyl)methyl vancomycin

N-4-(4’-chlorobiphenyl)methyl vancomycin

Conditions
ConditionsYield
Stage #1: vancomycin; 4'-chlorobiphenyl-4-carbaldehyde With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25 - 70℃; for 2h;
Stage #2: With sodium cyanoborohydride In tetrahydrofuran; N,N-dimethyl-formamide at 70℃; for 5h;		74%
Stage #1: vancomycin; 4'-chlorobiphenyl-4-carbaldehyde With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25 - 70℃; for 2h;
Stage #2: With sodium cyanoborohydride In tetrahydrofuran; N,N-dimethyl-formamide at 70℃; for 5h;		61%
Stage #1: vancomycin; 4'-chlorobiphenyl-4-carbaldehyde With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 4h;
Stage #2: With sodium cyanoborohydride; trifluoroacetic acid In methanol; N,N-dimethyl-formamide at 20 - 25℃;		60 mg
Stage #1: vancomycin; 4'-chlorobiphenyl-4-carbaldehyde With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 70℃; for 2h;
Stage #2: With sodium cyanoborohydride In tetrahydrofuran; N,N-dimethyl-formamide at 70℃; for 5h;		1.64 g
vancomycin
1404-90-6

vancomycin

3-[9-({{4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl}[(4-methylphenyl)sulfonyl]amino}carbonyl)-10-acridiniumyl]-1-propanesulfonate
199293-83-9

3-[9-({{4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl}[(4-methylphenyl)sulfonyl]amino}carbonyl)-10-acridiniumyl]-1-propanesulfonate

C94H101Cl2N11O31S2

C94H101Cl2N11O31S2

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide Condensation;70%
vancomycin
1404-90-6

vancomycin

N(1),N(1)-bis((pyridin-2-yl)methyl)hexane-1,6-diamine
893418-31-0

N(1),N(1)-bis((pyridin-2-yl)methyl)hexane-1,6-diamine

dipi-van

dipi-van

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 20℃;70%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 20℃; for 12h;
vancomycin
1404-90-6

vancomycin

trifluoroacetic acid
76-05-1

trifluoroacetic acid

N(1),N(1)-bis((pyridin-2-yl)methyl)hexane-1,6-diamine
893418-31-0

N(1),N(1)-bis((pyridin-2-yl)methyl)hexane-1,6-diamine

C84H99Cl2N13O23*3C2HF3O2

C84H99Cl2N13O23*3C2HF3O2

Conditions
ConditionsYield
Stage #1: vancomycin; N(1),N(1)-bis((pyridin-2-yl)methyl)hexane-1,6-diamine With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 20℃;
Stage #2: trifluoroacetic acid In water; acetonitrile		70%
...Expand
vancomycin
1404-90-6

vancomycin

C17H38N3O(1+)

C17H38N3O(1+)

C83H111Cl2N12O24(1+)

C83H111Cl2N12O24(1+)

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 0 - 20℃;70%
vancomycin
1404-90-6

vancomycin

C66H79Cl2N9O24

C66H79Cl2N9O24

Conditions
ConditionsYield
With sodium tetrahydroborate; water In ethanol for 24h; Ambient temperature;68%
vancomycin
1404-90-6

vancomycin

3-Amino-prop-1-yltrimethylammoniumion
58999-88-5

3-Amino-prop-1-yltrimethylammoniumion

C1-vancomycin

C1-vancomycin

Conditions
ConditionsYield
With 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In dimethyl sulfoxide; N,N-dimethyl-formamide68%
With 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In dimethyl sulfoxide; N,N-dimethyl-formamide at 25℃; for 0.0833333h;68%
vancomycin
1404-90-6

vancomycin

1-methylaminopyrene hydrochloride
93324-65-3

1-methylaminopyrene hydrochloride

C83H86Cl2N10O23

C83H86Cl2N10O23

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20℃; for 4h;67%
vancomycin
1404-90-6

vancomycin

C66H73Cl2N11O24

C66H73Cl2N11O24

Conditions
ConditionsYield
With fluorosulfonyl azide; potassium hydrogencarbonate In tert-butyl methyl ether; water; N,N-dimethyl-formamide at 20℃; for 1.5h;67%
vancomycin
1404-90-6

vancomycin

desvancosaminyl vancomycin
101485-50-1

desvancosaminyl vancomycin

Conditions
ConditionsYield
With water; trifluoroacetic acid at 10℃; for 2h;65%
With water; trifluoroacetic acid at 10℃; for 2h; Product distribution / selectivity;45%
With water; trifluoroacetic acid at 10℃; for 2h;45%
t-butyldimethylsiyl triflate
69739-34-0

t-butyldimethylsiyl triflate

vancomycin
1404-90-6

vancomycin

Nona-TBS-vancomycin
221182-45-2

Nona-TBS-vancomycin

Conditions
ConditionsYield
Stage #1: t-butyldimethylsiyl triflate; vancomycin With 2,6-dimethylpyridine In dichloromethane; N,N-dimethyl-formamide at 0 - 25℃; for 18h; Etherification;
Stage #2: With sodium hydrogencarbonate In dichloromethane; N,N-dimethyl-formamide at 25℃; for 60h; Hydrolysis;		65%
With 2,6-dimethylpyridine In dichloromethane; N,N-dimethyl-formamide at 23℃; for 8h; Substitution;
With 2,6-dimethylpyridine In dichloromethane; N,N-dimethyl-formamide at 23℃; for 8h; sonication;

Vancomycin History

   Vancomycin (CAS NO.1404-90-6) was first isolated by EC Kornfeld (working at Eli Lilly) from a soil sample collected from the interior jungles of Borneo by a missionary. The organism that produced it was eventually named Amycolatopsis orientalis.
   The compound was initially labelled compound 05865, but was eventually given the generic name, vancomycin (derived from the word "vanquished").In 1958 ,The rapid development of penicillin-resistance by staphylococci led to the compound being fast-tracked for approval by the FDA . Eli Lilly first marketed vancomycin hydrochloride under the trade name Vancocin.

Vancomycin Specification

The Vancomycin, with the CAS registry number 1404-90-6, has the systematic name of (1S,2R,18R,19R,22S,25R,28R,40S)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-22-(2-a mino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~ .1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name).

The physical properties of this chemical are as below: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 33; (7)#H bond donors: 21; (8)#Freely Rotating Bonds: 23; (9)Polar Surface Area: 530.49; (10)Index of Refraction: 1.735; (11)Molar Refractivity: 350.837 cm3; (12)Molar Volume: 874.685 cm3; (13)Polarizability: 139.083×10-24 cm3; (14)Surface Tension: 105.146 dyne/cm; (15)Density: 1.657 g/cm3; (16)Exact Mass: 1447.4302; (17)MonoIsotopic Mass: 1447.4302; (18)Topological Polar Surface Area: 531; (19)Heavy Atom Count: 101; (20)Complexity: 2960.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O) O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
(2)Isomeric SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)(=O)O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
(3)InChI: InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-   26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
(4)InChIKey: MYPYJXKWCTUITO-LYRMYLQWSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
infant TDLo intravenous 30mg/kg/20M-C (30mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

CARDIAC: OTHER CHANGES		 Archives of Disease in Childhood. Vol. 73, Pg. F123, 1995.
infant TDLo intravenous 119mg/kg (119mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 83, 1996.
 
infant TDLo intravenous 295mg/kg/3D-I (295mg/kg) KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS Journal of Toxicology, Clinical Toxicology. Vol. 30, Pg. 285, 1992.
 
man TDLo intravenous 15mg/kg/2H-C (15mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Annals of Pharmacotherpy. Vol. 33, Pg. 1043, 1999.
 
mouse LD50 intraperitoneal 1734mg/kg (1734mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 675, 1967.
mouse LD50 intravenous 430mg/kg (430mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 913, 1990.
 
mouse LD50 subcutaneous 5gm/kg (5000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 315, 1980.
women TDLo intravenous 15mg/kg/90M-C (15mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" New England Journal of Medicine. Vol. 313, Pg. 756, 1985.
 
women TDLo intravenous 170mg/kg/19D- (170mg/kg) BLOOD: AGRANULOCYTOSIS Canadian Medical Association Journal. Vol. 132, Pg. 39, 1985.
 
women TDLo multiple routes 30mg/kg/2D-I (30mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Annals of Internal Medicine. Vol. 115, Pg. 410, 1991.
 

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