U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C27H31NO3
Molecular Weight 417.5399
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-3-METHOXYTAMOXIFEN

SMILES

CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C2=CC=C(O)C(OC)=C2)C3=CC=CC=C3

InChI

InChIKey=NUHCLTXGFUFIKR-SOYKGTTHSA-N
InChI=1S/C27H31NO3/c1-5-24(20-9-7-6-8-10-20)27(22-13-16-25(29)26(19-22)30-4)21-11-14-23(15-12-21)31-18-17-28(2)3/h6-16,19,29H,5,17-18H2,1-4H3/b27-24+

HIDE SMILES / InChI

Molecular Formula C27H31NO3
Molecular Weight 417.5399
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:16:55 UTC 2023
Edited
by admin
on Sat Dec 16 10:16:55 UTC 2023
Record UNII
O05KL6X2UX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-3-METHOXYTAMOXIFEN
Common Name English
PHENOL, 4-((1E)-1-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)-2-PHENYL-1-BUTENYL)-2-METHOXY-
Systematic Name English
PHENOL, 4-((1E)-1-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)-2-PHENYL-1-BUTEN-1-YL)-2-METHOXY-
Systematic Name English
4-HYDROXY-METHOXYTAMOXIFEN
Common Name English
Code System Code Type Description
PUBCHEM
112500493
Created by admin on Sat Dec 16 10:16:55 UTC 2023 , Edited by admin on Sat Dec 16 10:16:55 UTC 2023
PRIMARY
FDA UNII
O05KL6X2UX
Created by admin on Sat Dec 16 10:16:55 UTC 2023 , Edited by admin on Sat Dec 16 10:16:55 UTC 2023
PRIMARY
CAS
158816-80-9
Created by admin on Sat Dec 16 10:16:55 UTC 2023 , Edited by admin on Sat Dec 16 10:16:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE