-
Name
Mildiomycin
- EINECS
- CAS No. 67527-71-3
- Density 1.81g/cm3
- Solubility
- Melting Point >300° (monohydrate)
- Formula C19H30N8O9•H2O
- Boiling Point °Cat760mmHg
- Molecular Weight 514.495
- Flash Point °C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA 309.86000
- LogP -2.30050
Mildiomycin Chemical Properties
Molecule structure of Mildiomycin (CAS NO.67527-71-3) :
IUPAC Name: 2-[6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-[(2-amino-3-hydroxypropanoyl)amino]-3,
6-dihydro-2H-pyran-2-yl]-5-(diaminomethylideneamino)-2,4-dihydroxypentanoic acid
Molecular Weight: 514.4897 g/mol
Molecular Formula: C19H30N8O9
Density: 1.81 g/cm3
Index of Refraction: 1.743
Molar Refractivity: 114.52 cm3
Molar Volume: 283.1 cm3
Polarizability: 45.4*10-24 cm3
Surface Tension: 93.2 dyne/cm
XLogP3-AA: -8.1
H-Bond Donor: 10
H-Bond Acceptor: 14
Rotatable Bond Count: 11
Tautomer Count: 12
Exact Mass: 514.213575
MonoIsotopic Mass: 514.213575
Topological Polar Surface Area: 306
Heavy Atom Count: 36
Complexity: 980
Canonical SMILES: C1=CC(OC(C1NC(=O)C(CO)N)C(CC(CN=C(N)N)O)(C(=O)O)O)N2C=C(C(=NC2=O)N)CO
InChI: InChI=1S/C19H30N8O9/c20-10(7-29)15(31)25-11-1-2-12(27-5-8(6-28)14(21)26-18(27)34)36-13(11)19(35,16(32)33)3-9(30)4-24-17(22)23/h1-2,5,9-13,28-30,35H,3-4,6-7,20H2,(H,25,31)(H,32,33)(H2,21,26,34)(H4,22,23,24)
InChIKey of Mildiomycin (CAS NO.67527-71-3) : QKJJCZYFXJCKRX-UHFFFAOYSA-N
Mildiomycin Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1020mg/kg (1020mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 19, Pg. S135, 1994. |
| mouse | LD50 | intravenous | 500mg/kg (500mg/kg) | Journal of Antibiotics. Vol. 31, Pg. 519, 1978. | |
| mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Journal of Antibiotics. Vol. 31, Pg. 519, 1978. | |
| mouse | LD50 | skin | > 5gm/kg (5000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 19, Pg. S135, 1994. | |
| mouse | LD50 | subcutaneous | 500mg/kg (500mg/kg) | Journal of Antibiotics. Vol. 31, Pg. 519, 1978. | |
| rat | LC50 | inhalation | 880mg/m3/4H (880mg/m3) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 19, Pg. S135, 1994. | |
| rat | LD50 | intraperitoneal | 679mg/kg (679mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 19, Pg. S135, 1994. | |
| rat | LD50 | intravenous | 500mg/kg (500mg/kg) | Journal of Antibiotics. Vol. 31, Pg. 519, 1978. | |
| rat | LD50 | oral | 2500mg/kg (2500mg/kg) | Journal of Antibiotics. Vol. 31, Pg. 519, 1978. | |
| rat | LD50 | skin | > 5gm/kg (5000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 19, Pg. S135, 1994. | |
| rat | LD50 | subcutaneous | 500mg/kg (500mg/kg) | Journal of Antibiotics. Vol. 31, Pg. 519, 1978. |
Mildiomycin Safety Profile
Moderately toxic by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
Mildiomycin Specification
Mildiomycin (CAS NO.67527-71-3) is also called Antibiotic B-98891 ; B-98891 ; MIL ; 2(1H)-Pyrimidinone, 4-amino-1-(4-((2-amino-3-hydroxy-1-oxopropyl)amino)-9-((aminoiminomethyl)amino)-6-C-carboxy-2,3,4,7,9-pentadeoxy-alpha-L-talo-non-2-enopyranosyl)-5-(hydroxymethyl)-, (S)- .
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