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Substance Name: Ambamustine hydrochloride
RN: 83996-50-3
InChIKey: GLFJQXMGTAJTGY-AVBZIYQWSA-N

Note

  • Tripeptide mustard.

Classification Codes

  • Antineoplastic Agents
  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H39-Cl2-F-N4-O4-S.Cl-H

Molecular Weight

  • 665.094
 
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Names and Synonyms

Results Name

  • Ambamustine hydrochloride

Name of Substance

  • Ambamustine

Synonyms

  • Ambamustine HCl
  • Ambamustine hydrochloride
  • CCRIS 1548
  • PT 119
  • PTT 119

Systematic Names

  • L-Methionine, N-(3-(bis(2-chloroethyl)amino)-N-(4-fluoro-L-phenylalanyl)-L-phenylalanyl)-, ethyl ester, monohydrochloride
  • Ptt-119

Registry Numbers

CAS Registry Number

  • 83996-50-3

System Generated Number

  • 0083996503

Molecular Formulas

Molecular Formula

  • C29-H39-Cl2-F-N4-O4-S.Cl-H

Molecular Formula Fragments

  • C29-H39-Cl2-F-N4-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H40Cl2FN3O4S.ClH/c1-3-40-30(39)23(11-16-41-2)20-28(37)27(35-29(38)26(34)18-21-7-9-24(33)10-8-21)19-22-5-4-6-25(17-22)36(14-12-31)15-13-32;/h4-10,17,23,26-27H,3,11-16,18-20,34H2,1-2H3,(H,35,38);1H/t23-,26+,27+;/m1./s1

InChIKey

GLFJQXMGTAJTGY-AVBZIYQWSA-N

Smiles

c1c(ccc(c1)C[C@@H](C(N[C@@H](Cc1cccc(N(CCCl)CCCl)c1)C(=O)C[C@@H](CCSC)C(=O)OCC)=O)N)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 3670ug/kg (3.67mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BLOOD: OTHER CHANGES
Farmaco, Edizione Pratica. Vol. 40, Pg. 242, 1985.
mouse LD50 intraperitoneal 21mg/kg (21mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmaco, Edizione Scientifica. Vol. 38, Pg. 205, 1983.
mouse LD50 intravenous 17mg/kg (17mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmaco, Edizione Scientifica. Vol. 38, Pg. 205, 1983.
rat LD50 intraperitoneal 9200ug/kg (9.2mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Farmaco, Edizione Scientifica. Vol. 38, Pg. 205, 1983.
rat LD50 intravenous 9300ug/kg (9.3mg/kg)   Farmaco, Edizione Scientifica. Vol. 38, Pg. 205, 1983.
rat LD50 intravenous 9300ug/kg (9.3mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Farmaco, Edizione Scientifica. Vol. 38, Pg. 205, 1983.