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Substance Name: CP-394531
RN: 305822-63-3
UNII: 227D9ED2SI
InChIKey: CNOAOQSZNOTZLQ-OIBXWCBGSA-N

Note

  • CP-394531 is the (4aS,2R,10aR)-isomer.

Molecular Formula

  • C23-H23-Cl-O2

Molecular Weight

  • 366.8857
 
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Names and Synonyms

Name of Substance

  • CP-394531

Synonyms

  • 2,7-Phenanthrenediol, 2-(2-chloroethynyl)-1,2,3,4,4a,9,10,10a-octahydro-4a-(phenylmethyl)-, (2R,4aS,10aR)-
  • 2,7-Phenanthrenediol, 2-(chloroethynyl)-1,2,3,4,4a,9,10,10a-octahydro-4a-(phenylmethyl)-, (2R,4aS,10aR)-
  • CP-394531
  • UNII-227D9ED2SI

Registry Numbers

CAS Registry Number

  • 305822-63-3

FDA UNII

  • 227D9ED2SI

System Generated Number

  • 0305822633

Structure Descriptors

InChI

1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1

InChIKey

CNOAOQSZNOTZLQ-OIBXWCBGSA-N

Smiles

c1ccc(cc1)C[C@@]23CC[C@@](C[C@H]2CCc4c3ccc(c4)O)(C#CCl)O