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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-bromophenyl ester, monohydrochloride, (2S-cis)-
RN: 104699-78-7
InChIKey: FNQRWSXGURVIMF-ZLMLHUAXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H42-Br-Cl2-N4-O11-P.Cl-H

Molecular Weight

  • 937.0007
 
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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-bromophenyl ester, monohydrochloride, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 104699-78-7

System Generated Number

  • 0104699787

Molecular Formulas

Molecular Formula

  • C37-H42-Br-Cl2-N4-O11-P.Cl-H

Molecular Formula Fragments

  • C37-H42-Br-Cl2-N4-O11-P
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C37H42BrCl2N4O11P.ClH/c1-18-32(45)24(41)15-27(53-18)54-26-17-37(50,19(2)42-43-56(51,44(13-11-39)14-12-40)55-21-9-7-20(38)8-10-21)16-23-29(26)36(49)31-30(34(23)47)33(46)22-5-4-6-25(52-3)28(22)35(31)48;/h4-10,18,24,26-27,32,45,47,49-50H,11-17,41H2,1-3H3,(H,43,51);1H/b42-19-;/t18-,24-,26-,27-,32+,37-,56?;/m0./s1

InChIKey

FNQRWSXGURVIMF-ZLMLHUAXSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(/C(=N\NP(=O)(N(CCCl)CCCl)Oc6ccc(cc6)Br)/C)O)N)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 690, 1985.