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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H35NO3
Molecular Weight 457.6038
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORMELOXIFENE, (+)-

SMILES

COC1=CC=C2[C@@H]([C@@H](C3=CC=CC=C3)C(C)(C)OC2=C1)C4=CC=C(OCCN5CCCC5)C=C4

InChI

InChIKey=XZEUAXYWNKYKPL-URLMMPGGSA-N
InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H35NO3
Molecular Weight 457.6038
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:59:32 UTC 2023
Edited
by admin
on Sat Dec 16 02:59:32 UTC 2023
Record UNII
V994WJY688
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORMELOXIFENE, (+)-
Common Name English
(+)-CENTCHROMAN
Common Name English
PYRROLIDINE, 1-(2-(4-((3S,4S)-3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-3-PHENYL-2H-1-BENZOPYRAN-4-YL)PHENOXY)ETHYL)-
Systematic Name English
D-CENTCHROMAN
Common Name English
PYRROLIDINE, 1-(2-(4-(3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-3-PHENYL-2H-1-BENZOPYRAN-4-YL)PHENOXY)ETHYL)-, (3S-TRANS)-
Systematic Name English
1-(2-(4-((3S,4S)-3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-3-PHENYL-2H-1-BENZOPYRAN-4-YL)PHENOXY)ETHYL)PYRROLIDINE
Systematic Name English
Code System Code Type Description
FDA UNII
V994WJY688
Created by admin on Sat Dec 16 02:59:32 UTC 2023 , Edited by admin on Sat Dec 16 02:59:32 UTC 2023
PRIMARY
CAS
78994-25-9
Created by admin on Sat Dec 16 02:59:32 UTC 2023 , Edited by admin on Sat Dec 16 02:59:32 UTC 2023
PRIMARY
PUBCHEM
154413
Created by admin on Sat Dec 16 02:59:32 UTC 2023 , Edited by admin on Sat Dec 16 02:59:32 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER
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METABOLITE ACTIVE -> PRODRUG