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Substance Name: Atrimustine [INN]
RN: 75219-46-4
UNII: XC0K09B7K4
InChIKey: IFJUINDAXYAPTO-UUBSBJJBSA-N

Note

  • Cpd from reaction of chlorambucil and estradiol.

Molecular Formula

  • C41-H47-Cl2-N-O6

Molecular Weight

  • 720.7293
 

Classification Codes

  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Hormone
  • Immunologic Factors
  • Immunosuppressive Agents
  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Atrimustine [INN]
  • Bestrabucil

Synonyms

  • Atrimustina
  • Atrimustina [INN-Spanish]
  • Atrimustine
  • Atrimustinum
  • Atrimustinum [INN-Latin]
  • Bestrabucil
  • Estradiol 3-benzoate 17-glycolate, 4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate
  • KM 2210
  • UNII-XC0K09B7K4

Systematic Names

  • Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate)
  • Estradiol 3-benzoate 17-glycolate, 4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate

Registry Numbers

CAS Registry Number

  • 75219-46-4

FDA UNII

  • XC0K09B7K4

System Generated Number

  • 0075219464

Structure Descriptors

InChI

1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34-,35-,36+,37+,41+/m1/s1

InChIKey

IFJUINDAXYAPTO-UUBSBJJBSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCc5ccc(cc5)N(CCCl)CCCl)OC(=O)c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 1500mg/kg (1500mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 20, Pg. 3379, 1986.
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5119, 1985.
mouse LD50 oral > 6gm/kg (6000mg/kg)   British UK Patent Application. Vol. #2028335,
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg)   British UK Patent Application. Vol. #2028335,
rat LD50 intraperitoneal > 3gm/kg (3000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

ENDOCRINE: OTHER CHANGES
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5119, 1985.
rat LD50 oral > 6gm/kg (6000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5119, 1985.
rat LD50 oral > 6gm/kg (6000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5119, 1985.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg) ENDOCRINE: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 5119, 1985.