-
Name
Enocitabine
- EINECS 1312995-182-4
- CAS No. 55726-47-1
- Article Data5
- CAS DataBase
- Density 1.16g/cm3
- Solubility
- Melting Point 141-142°C
- Formula C31H55 N3 O6
- Boiling Point °Cat760mmHg
- Molecular Weight 565.794
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by intravenous route. Moderately toxic by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms BH-AC;Behenoylcytosine arabinoside;Enocitabine;N4-Behenoyl-1-b-D-arabinofuranosylcytosine;N4-Behenoylcytosine arabinoside;NSC 239336;Sunrabin;
- PSA 133.91000
- LogP 5.68820
Enocitabine Chemical Properties
Molecular Structure of Enocitabine (55726-47-1):
IUPAC Name: N-[1-[(2R,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide
Molecular Formula: C31H55N3O6
Molecular Weight: 565.7849 g/mol
XLogP3: 9.2
H-Bond Donor: 4
H-Bond Acceptor: 6
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1
InChIKey: SAMRUMKYXPVKPA-VFKOLLTISA-N
Index of Refraction: 1.554
Molar Refractivity: 155.85 cm3
Molar Volume: 486 cm3
Surface Tension: 44.4 dyne/cm
Density: 1.16 g/cm3
Melting Point: 141-142 °C
Enocitabine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 525mg/kg (525mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983. | |
| mouse | LD50 | intravenous | 500mg/kg (500mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983. | |
| mouse | LD50 | oral | > 1500mg/kg (1500mg/kg) | BLOOD: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 25, Pg. 691, 1983. |
| mouse | LD50 | subcutaneous | 810mg/kg (810mg/kg) | Gan to Kagaku Ryoho. Cancer and Chemotherapy. Vol. 10, Pg. 2077, 1983. | |
| rat | LD50 | intraperitoneal | 1100mg/kg (1100mg/kg) | Gan to Kagaku Ryoho. Cancer and Chemotherapy. Vol. 10, Pg. 2077, 1983. | |
| rat | LD50 | intravenous | 380mg/kg (380mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 484, 1983. | |
| rat | LD50 | oral | > 1gm/kg (1000mg/kg) | BLOOD: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 25, Pg. 691, 1983. |
| rat | LD50 | subcutaneous | > 1352mg/kg (1352mg/kg) | BLOOD: OTHER CHANGES | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 25, Pg. 691, 1983. |
Enocitabine Safety Profile
Poison by intravenous route. Moderately toxic by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Enocitabine Specification
Enocitabine (55726-47-1) is a nucleoside analog which can be used as chemotherapy under the brand name Sunrabin. Sunrabin can cause allergic reactions because it contains the emulsifier HCO-60 . Enocitabine (55726-47-1) is also known as Enocitabine [INN:JAN] ; Behenoylcytosine arabinoside ; Enocitabina ; Enocitabina [INN-Spanish] ; Enocitabinum ; Enocitabinum [INN-Latin] ; N(sup 4)-Behenoyl-1-beta-D-arabinofuranosylcytosine ; N(sup 4)-Behenoylcytosine arabinoside ; N-(1-beta-D-Arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)docosanamide ; Sunrabin ; Docosanamide, N-(1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)- .
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