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Substance Name: Quinocarmycin citrate
RN: 101311-75-5
InChIKey: UXFWJZOLNGJJTD-HFCBHUGHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C18-H22-N2-O4.C6-H8-O7

Molecular Weight

  • 522.504
 
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Names and Synonyms

Results Name

  • Quinocarmycin citrate

Synonyms

  • KW2152
  • Quinocarmycin citrate

Systematic Name

  • 3,6-Imino-1H-2-oxa-11c-azanaphth(1,2,3-cd)-azulene-5-carboxylic acid, 2a,3,4,5,6,6a,7,11b-octahydro-11-methoxy-12-methyl-, monocitrate

Registry Numbers

CAS Registry Number

  • 101311-75-5

System Generated Number

  • 0101311755

Molecular Formulas

Molecular Formula

  • C18-H22-N2-O4.C6-H8-O7

Molecular Formula Fragments

  • C18-H22-N2-O4
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22N2O4.C6H8O7/c1-18-8-24-16-11-7-10(17(21)22)15(19-11)12(20(16)18)6-9-4-3-5-13(23-2)14(9)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,10-12,15-16,19H,6-8H2,1-2H3,(H,21,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,11-,12+,15+,16-,18+;/m1./s1

InChIKey

UXFWJZOLNGJJTD-HFCBHUGHSA-N

Smiles

C(C(C(O)=O)(O)CC(=O)O)C(=O)O.c1(c2[C@@]3([N@@]4[C@@H](Cc2ccc1)[C@@H]1[C@@H](C[C@@H]([C@H]4OC3)N1)C(O)=O)C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13900ug/kg (13.9mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

ENDOCRINE: OTHER CHANGES
Cancer Research. Vol. 47, Pg. 1516, 1987.
mouse LD50 unreported 22mg/kg (22mg/kg)   Drugs of the Future. Vol. 12, Pg. 556, 1987.