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Substance Name: Acetic acid, thio-, S-ester with 4-(bis(2-bromoethyl)amino)benzene thiol
RN: 2045-16-1
InChIKey: RJTQXAGEXLGPGB-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-Br2-N-O-S

Molecular Weight

  • 381.13
 
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Names and Synonyms

Synonyms

  • Acetic acid, thio-, S-(bis(2-bromoethylamino)phenyl ester
  • BRN 2811877

Systematic Name

  • Acetic acid, thio-, S-ester with 4-(bis(2-bromoethyl)amino)benzene thiol

Registry Numbers

CAS Registry Number

  • 2045-16-1

System Generated Number

  • 0002045161

Structure Descriptors

InChI

1S/C12H15Br2NOS/c1-10(16)17-12-4-2-11(3-5-12)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3

InChIKey

RJTQXAGEXLGPGB-UHFFFAOYSA-N

Smiles

c1(N(CCBr)CCBr)ccc(SC(C)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.
rat LD50 intraperitoneal 61mg/kg (61mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.