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Substance Name: 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-(2-propylmethyl)-, 2-oxide
RN: 91173-09-0
InChIKey: OBMKGSYJGAFZRM-AWQADKOQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H23-Cl2-N2-O2-P

Molecular Weight

  • 527.4962
 
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Names and Synonyms

Synonyms

  • B 741
  • Tetrahydro-2-(bis(2-chloroethyl)amino)-3-(isopropylmethyl)-2H-1,3,2-oxazaphosphorine 2-oxide

Systematic Name

  • 2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-3-(2-propylmethyl)-, 2-oxide

Registry Numbers

CAS Registry Number

  • 91173-09-0

System Generated Number

  • 0091173090

Structure Descriptors

InChI

1S/C31H28Cl2N4/c1-20-6-12-23(13-7-20)35-28-19-31-29(18-27(28)34-24-14-8-21(32)9-15-24)36-26-4-2-3-5-30(26)37(31)25-16-10-22(33)11-17-25/h2-5,8-11,14-20,23,34H,6-7,12-13H2,1H3/b35-28+

InChIKey

OBMKGSYJGAFZRM-AWQADKOQSA-N

Smiles

CC1CCC(CC1)/N=c/2\cc-3n(c4ccccc4nc3cc2Nc5ccc(cc5)Cl)c6ccc(cc6)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 143, 1961.