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Substance Name: Hael-chlorambucil
RN: 107480-21-7
InChIKey: PBKHSKUCHZCYLT-AVMGXJNKSA-N

Molecular Formula

  • C33-H46-Cl2-N2-O3

Molecular Weight

  • 589.643
 
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Names and Synonyms

Results Name

  • Hael-chlorambucil

Name of Substance

  • 3-Hydroxy-13,17-seco-5-androsten-17-oic-13,17-lactam (4-(bis(2-chloroethyl)amino)phenyl)butyrate

Synonym

  • Hael-chlorambucil

Systematic Name

  • 17a-Aza-D-homoandrost-5-en-17-one, 3-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 107480-21-7

System Generated Number

  • 0107480217

Structure Descriptors

InChI

1S/C33H46Cl2N2O3/c1-32-16-14-26(22-24(32)8-11-27-28(32)15-17-33(2)29(27)12-13-30(38)36-33)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-18-34)21-19-35/h6-10,26-29H,3-5,11-22H2,1-2H3,(H,36,38)/t26?,27-,28+,29+,32+,33+/m1/s1

InChIKey

PBKHSKUCHZCYLT-AVMGXJNKSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CCC(=O)N[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC(CCCc1ccc(cc1)N(CCCl)CCCl)=O