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Substance Name: Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, dimethyl ester
RN: 155919-81-6
InChIKey: NYIGRXMRDFCIHL-OUUBHVDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H33-Cl2-N2-O11-P

Molecular Weight

  • 579.3637
 
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Names and Synonyms

  • Phosphoramidimidic acid, N,N-bis(2-chloroethyl)-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 155919-81-6

System Generated Number

  • 0155919816

Structure Descriptors

InChI

1S/C20H33Cl2N2O11P/c1-12(25)31-11-16-17(32-13(2)26)18(33-14(3)27)19(34-15(4)28)20(35-16)24(10-8-22)36(29-5,30-6)23-9-7-21/h16-20H,7-11H2,1-6H3/t16-,17-,18+,19-,20-/m1/s1

InChIKey

NYIGRXMRDFCIHL-OUUBHVDSSA-N

Smiles

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N(CCCl)P(=NCCCl)(OC)OC)OC(=O)C)OC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 754, 1993.