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Substance Name: Phosphoramidohydrazidic acid, 2-(1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)-N,N-bis(2-chloroethyl)-, 4-methylphenyl ester, monohydrochloride, (2S-cis)-
RN: 104699-79-8
InChIKey: MBLLSTYGHPTJPK-PEQWJZBNSA-N

Molecular Formula

  • C38-H45-Cl2-N4-O11-P.Cl-H

Molecular Weight

  • 872.1314
 
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Names and Synonyms

  • Phosphoramidohydrazidic acid, 2-(1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)-N,N-bis(2-chloroethyl)-, 4-methylphenyl ester, monohydrochloride, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 104699-79-8

System Generated Number

  • 0104699798

Molecular Formulas

Molecular Formula

  • C38-H45-Cl2-N4-O11-P.Cl-H

Molecular Formula Fragments

  • C38-H45-Cl2-N4-O11-P
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C38H45Cl2N4O11P.ClH/c1-19-8-10-22(11-9-19)55-56(51,44(14-12-39)15-13-40)43-42-21(3)38(50)17-24-30(27(18-38)54-28-16-25(41)33(45)20(2)53-28)37(49)32-31(35(24)47)34(46)23-6-5-7-26(52-4)29(23)36(32)48;/h5-11,20,25,27-28,33,45,47,49-50H,12-18,41H2,1-4H3,(H,43,51);1H/b42-21-;/t20-,25-,27-,28-,33+,38-,56?;/m0./s1

InChIKey

MBLLSTYGHPTJPK-PEQWJZBNSA-N

Smiles

Cc1ccc(cc1)OP(=O)(N/N=C(/C)\[C@@]2(Cc3c(c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)[C@H](C2)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)N)O)N(CCCl)CCCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 121mg/kg (121mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 690, 1985.