CAS No.55726-47-1,Enocitabine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55726-47-1
Name:	Enocitabine
Article Data:	5

Formula:	C31H55 N3 O6
Molecular Weight:	565.794
Synonyms:	BH-AC;Behenoylcytosine arabinoside;Enocitabine;N4-Behenoyl-1-b-D-arabinofuranosylcytosine;N4-Behenoylcytosine arabinoside;NSC 239336;Sunrabin;
EINECS:	1312995-182-4
Density:	1.16g/cm³
Melting Point:	141-142°C
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Safety:	Poison by intravenous route. Moderately toxic by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	133.91000
LogP:	5.68820

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Chemistry

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

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.

Safety Profile

Poison by intravenous route. Moderately toxic by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.

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)- .