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Cas Database

Name	Enocitabine	EINECS	1312995-182-4
CAS No.	55726-47-1	Density	1.16g/cm³
PSA	133.91000	LogP	5.68820
Solubility	N/A	Melting Point	141-142°C
Formula	C31H55 N3 O6	Boiling Point	°Cat760mmHg
Molecular Weight	565.794	Flash Point	°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intravenous route. Moderately toxic by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	BH-AC;Behenoylcytosine arabinoside;Enocitabine;N4-Behenoyl-1-b-D-arabinofuranosylcytosine;N4-Behenoylcytosine arabinoside;NSC 239336;Sunrabin;	Article Data	5

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 NO_x.

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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