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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H35NO3.C4H4O4
Molecular Weight 573.676
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

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

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC2=C(C=C1)[C@@H]([C@@H](C3=CC=CC=C3)C(C)(C)O2)C4=CC=C(OCCN5CCCC5)C=C4

InChI

InChIKey=CKDZFQCZLXNLRD-WIPCKJGLSA-N
InChI=1S/C30H35NO3.C4H4O4/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;5-3(6)1-2-4(7)8/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t28-,29+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ORMELOXIFENE FUMARATE, (+)-
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)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1012789-13-7
Created by admin on Sat Dec 16 12:37:23 GMT 2023 , Edited by admin on Sat Dec 16 12:37:23 GMT 2023
PRIMARY
FDA UNII
IF3NIE20RC
Created by admin on Sat Dec 16 12:37:23 GMT 2023 , Edited by admin on Sat Dec 16 12:37:23 GMT 2023
PRIMARY
PUBCHEM
122706830
Created by admin on Sat Dec 16 12:37:23 GMT 2023 , Edited by admin on Sat Dec 16 12:37:23 GMT 2023
PRIMARY