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| CAS No.: | 18417-89-5 |
|---|---|
| Name: | SANGIVAMYCIN |
| Molecular Structure: | |
|
|
|
| Formula: | C12H15N5O5 |
| Molecular Weight: | 309.32 |
| Synonyms: | 7-DEAZA-7-CARBAMOYLADENOSINE;7-Carboxamido-7-deazaadenosine;7-DEAZAADENOSINE-7-CARBOXAMIDE;SANGIVAMYCIN; |
| Density: | 1.3120 (rough estimate) |
| Melting Point: | 260°C |
| Boiling Point: | 880.6°C at 760 mmHg |
| Flash Point: | 486.4°C |
| Hazard Symbols: |
 T+
|
| Risk Codes: | R26/27/28 |
| Safety: | Poison by ingestion, intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 178.97000 |
| LogP: | -1.05890 |
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Chemistry
Empirical Formula of Sangivamycin (CAS NO.18417-89-5): C12H15N5O5
Molecular Weight: 309.278 g/mol
Index of Refraction: 1.886
Density: 2.06 g/cm3
Flash Point: 443.9 °C
Enthalpy of Vaporization: 123.52 kJ/mol
Boiling Point: 810.4 °C at 760 mmHg
Vapour Pressure: 9.5E-28 mmHg at 25 °C
Structure of Sangivamycin (CAS NO.18417-89-5):
IUPAC Name: 4-Amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Canonical SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C(=O)N
Isomeric SMILES: C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN=C2N)C(=O)N
InChI: InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1
InChIKey: OBZJZDHRXBKKTJ-JTFADIMSSA-N
Toxicity Data With Reference
| 1. | dni-hmn:hla 20 mg/L | JANTAJ Journal of Antibiotics. 35 (1982),119. | ||
| 2. | oms-hmn:hla 20 mg/L | JANTAJ Journal of Antibiotics. 35 (1982),119. | ||
| 3. | oms-mus:leu 10 µmol/L | BCPCA6 Biochemical Pharmacology. 29 (1980),305. | ||
| 4. | ipr-rat LDLo:1200 µg/kg | NCINS* National Cancer Institute Report .(Bethesda, MD.: )1967,269. | ||
| 5. | orl-mus LD50:11 mg/kg | NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 . | ||
| 6. | ipr-mus LDLo:4 mg/kg | NCINS* National Cancer Institute Report .(Bethesda, MD.: )1967,269. | ||
| 7. | ivn-mus LD50:5 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),313. |
Safety Profile
Poison by ingestion, intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes of Sangivamycin (CAS NO.18417-89-5): 
T+
Risk Statements: 26/27/28
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-45
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Specification
Sangivamycin , its cas register number is 18417-89-5. It also can be called Ara-sangivamycin ; 4-Amino-7-beta-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carboxamide ; and 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-beta-D-ribofuranosyl- .