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Substance Name: 21,21-Dichloropregnenolone
RN: 117038-60-5
InChIKey: NKTSEDXFEYAMFC-OSQVXGLNSA-N

Molecular Formula

  • C21-H30-Cl2-O2

Molecular Weight

  • 385.372
 
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Names and Synonyms

Name of Substance

  • 21,21-Dichloropregnenolone

Synonym

  • 21,21-Dcpn

Systematic Name

  • Pregn-5-en-20-one, 21,21-dichloro-3-hydroxy-

Registry Numbers

CAS Registry Number

  • 117038-60-5

System Generated Number

  • 0117038605

Structure Descriptors

InChI

1S/C21H30Cl2O2/c1-20-9-7-13(24)11-12(20)3-4-14-15-5-6-17(18(25)19(22)23)21(15,2)10-8-16(14)20/h3,13-17,19,24H,4-11H2,1-2H3/t13-,14-,15-,16-,17+,20-,21-/m0/s1

InChIKey

NKTSEDXFEYAMFC-OSQVXGLNSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C(Cl)Cl)CC=C4[C@@]3(CC[C@@H](C4)O)C