98383-18-7 , Ecomustine, CAS:98383-18-7

98383-18-7, Ecomustine,
CAS:98383-18-7
C10H18ClN3O6 / 311.719

Ecomustine, 依考莫司汀

Ecomustine is a water-soluble nitrosoureido sugar derived from acosamine, with alkylating activity. Ecomustine alkylates and crosslinks DNA, thereby inhibiting replication and transcription and eventually resulting in a reduction of cellular proliferation.

CAS Number	98383-18-7
Product Name	Ecomustine
IUPAC Name	1-(2-chloroethyl)-3-[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea
Molecular Formula	C10H18ClN3O6
Molecular Weight	311.719 g/mol
InChI	InChI=1S/C10H18ClN3O6/c1-19-8-4-6(9(16)7(5-15)20-8)12-10(17)14(13-18)3-2-11/h6-9,15-16H,2-5H2,1H3,(H,12,17)/t6-,7-,8+,9+/m1/s1
InChI Key	YQYBWJPESSJLTK-HXFLIBJXSA-N
SMILES	COC1CC(C(C(O1)CO)O)NC(=O)N(CCCl)N=O
Solubility	Soluble in DMSO
Synonyms	CY 233, CY-233, CY233, ecomustine, methyl 3-(3-(2-chloroethyl)-3-nitrosoureido)-2,3-dideoxyarabinohexopyranoside, NSC 609224, NSC-609224
Canonical SMILES	COC1CC(C(C(O1)CO)O)NC(=O)N(CCCl)N=O
Isomeric SMILES	CO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)NC(=O)N(CCCl)N=O