-
Name
7-deazainosine
- EINECS
- CAS No. 2862-16-0
- Article Data13
- CAS DataBase
- Density 1.9g/cm3
- Solubility
- Melting Point 242.5°C
- Formula C11H13 N3 O5
- Boiling Point 624.8°Cat760mmHg
- Molecular Weight 267.27
- Flash Point 331.7°C
- Transport Information
- Appearance
- Safety Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-7-b-D-ribofuranosyl-(7CI); 7-(b-D-Ribofuranosyl)pyrrolo[2,3-d]pyrimidin-4-one;7-Deazainosine; Antibiotic XK 101-2; NSC 99439
- PSA 120.60000
- LogP -1.66390
7-Deazainosine Chemical Properties
Molecular Structure of 7-Deazainosine (CAS NO.2862-16-0):
IUPAC: 7-(beta-D-ribofuranosyl)-1,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Molecular Formula: C11H13N3O5
Molecular Weight: 267.238
Density: 1.9 g/cm3
Melting point: 241-244oC
Flash Point: 331.7oC
Boiling Point: 624.8oC at 760 mmHg
Index of Refraction: 1.81
Surface Tension: 89 dyne/cm
H bond acceptors: 8
Molar Volume: 140 cm3
Enthalpy of Vaporization: 97.26 kJ/mol
Vapour Pressure: 1.78E-16 mmHg at 25oC
SMILES: O=C2/N=C\Nc1n(ccc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO
InChI: InChI=1/C11H13N3O5/c15-3-6-7(16)8(17)11(19-6)14-2-1-5-9(14)12-4-13-10(5)18/h1-2,4,6-8,11,15-17H,3H2,(H,12,13,18)/t6-,7-,8-,11-/m1/s1
InChIKey: DPRSKJHWKNHBOW-KCGFPETGBT
7-Deazainosine Toxicity Data With Reference
| 1. | orl-rat LD50:26 mg/kg | CNREA8 Cancer Research. 29 (1969),116. | ||
| 2. | ipr-rat LD50:25 mg/kg | CNREA8 Cancer Research. 29 (1969),116. | ||
| 3. | scu-rat LD50:24 mg/kg | CNREA8 Cancer Research. 29 (1969),116. | ||
| 4. | ipr-mus LD50:30 mg/kg | CNREA8 Cancer Research. 29 (1969),116. | ||
| 5. | orl-dog LDLo:48 mg/kg | CNREA8 Cancer Research. 29 (1969),116. | ||
| 6. | ivn-dog LDLo:48 mg/kg | CNREA8 Cancer Research. 29 (1969),116. |
7-Deazainosine Safety Profile
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
7-Deazainosine Specification
7-Deazainosine with cas registry number of 2862-16-0 is also known as 7H-Pyrrolo(2,3-d)pyrimidin-4-ol, 7beta-D-ribofuranosyl- ; Deaminohydroxytubercindin ; 4H-Pyrrolo(2,3-d)pyrimidin-4-one, 1,7-dihydro-7-beta-D-ribofuranosyl- (8CI)(9CI) ; 7H-Pyrrolo(2,3-d)pyrimidin-4-ol, 7-beta-D-ribofuranosyl- . It is a compound with the appearance of needles . It would emit toxic fumes when heated to decomposition. 7-Deazainosine with cas registry number of 2862-16-0 is used as a drug .
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