Product Name

  • Name

    Yohimban-16-carboxylicacid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-

  • EINECS 205-004-8
  • CAS No. 131-01-1
  • Article Data18
  • CAS DataBase
  • Density 1.32 g/cm3
  • Solubility
  • Melting Point ~275°C (dec.)(lit.)
  • Formula C32H38 N2 O8
  • Boiling Point 676.1 °C at 760 mmHg
  • Molecular Weight 578.662
  • Flash Point 362.7 °C
  • Transport Information
  • Appearance white crystal powder
  • Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Questionable human carcinogen producing skin tumors. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 131-01-1 (Yohimban-16-carboxylicacid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-)
  • Hazard Symbols
  • Synonyms 3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-17a-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate(ester) (8CI); Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate (6CI);Deserpidine (7CI); Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acidderiv.; 11-Demethoxyreserpine; 11-Desmethoxyreserpine; Canescin; Canescine;Canescine (Rauwolfia); Deserpic acid, methyl ester, 3,4,5-trimethoxybenzoate;Deserpidin; Harmonyl; NSC 72138; Raunormin; Raunormine; Recanescin;Recanescine; Reserpidine
  • PSA 108.55000
  • LogP 4.10040

Synthetic route

3,4,5-Trimethoxybenzoyl chloride
4521-61-3

3,4,5-Trimethoxybenzoyl chloride

methyl deserpidate
54290-61-8

methyl deserpidate

deserpidine
131-01-1

deserpidine

Conditions
ConditionsYield
With pyridine In benzene at 5℃; for 120h;91%
With pyridine In benzene at 5℃; for 120h;91%
With pyridine In benzene at 5℃; for 120h;91%
tryptamine
61-54-1

tryptamine

<(1S)-4c-acetoxy-6c-formyl-3t-methoxy-2c-methoxycarbonyl-cyclohex-r-yl>-acetic acid

<(1S)-4c-acetoxy-6c-formyl-3t-methoxy-2c-methoxycarbonyl-cyclohex-r-yl>-acetic acid

deserpidine
131-01-1

deserpidine

Conditions
ConditionsYield
ueber 7 Stufen;
3,4,5-Trimethoxybenzoyl chloride
4521-61-3

3,4,5-Trimethoxybenzoyl chloride

deserpidic acid methyl ester

deserpidic acid methyl ester

deserpidine
131-01-1

deserpidine

Conditions
ConditionsYield
With pyridine
deserpidine
131-01-1

deserpidine

deserpidinediol
439-63-4

deserpidinediol

Conditions
ConditionsYield
With tetrahydrofuran; lithium aluminium tetrahydride
deserpidine
131-01-1

deserpidine

16β-Hydroxymethyl-17α-methoxy-20α-yohimban-18β-ol
439-63-4

16β-Hydroxymethyl-17α-methoxy-20α-yohimban-18β-ol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: LiAlH4; THF
2: KOH; diethylene glycol / 200 °C
View Scheme

Deserpidine Chemical Properties

Molecular Formula: C32H38N2O8
Molar mass: 578.6527 g/mol
EINECS: 205-004-8
Density: 1.32 g/cm3
Flash Point: 362.7 °C
Index of Refraction: 1.625
Boiling Point: 676.1 °C at 760 mmHg
Vapour Pressure: 3.87E-18 mmHg at 25°C
Structure of Deserpidine (131-01-1):
        
XLogP3-AA: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 9
SMILES: O=C(OC)[C@H]6[C@H]4C[C@@H]3c2nc1ccccc1c2CCN3C[C@H]4C[C@@H](OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@@H]6OC 
InChI: InChI=1/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1 
InChIKey: CVBMAZKKCSYWQR-WCGOZPBSBL 
Std. InChI: InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1 
Std. InChIKey: CVBMAZKKCSYWQR-WCGOZPBSSA-N

Deserpidine Toxicity Data With Reference

1.    

ivn-rat LD50:15 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,1972,104.
2.    

orl-mus LD50:500 mg/kg

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 44 (1955),688.
3.    

ipr-mus LD50:60 mg/kg

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 44 (1955),688.

Deserpidine Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Questionable human carcinogen producing skin tumors. When heated to decomposition it emits toxic fumes of NOx.

Deserpidine Specification

 Deserpidine (131-01-1) also can be called Methyl 17alpha-methoxy-18beta-((3,4,5-trimethoxybenzoyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylate and 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-17-alpha-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester) .

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