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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H27NO2.ClH
Molecular Weight 409.948
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ENDOXIFEN HYDROCHLORIDE

SMILES

Cl.CC\C(=C(/C1=CC=C(O)C=C1)C2=CC=C(OCCNC)C=C2)C3=CC=CC=C3

InChI

InChIKey=RPFIMPDXTABYCN-BJFQDICYSA-N
InChI=1S/C25H27NO2.ClH/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2;/h4-16,26-27H,3,17-18H2,1-2H3;1H/b25-24-;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H27NO2
Molecular Weight 373.4874
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 05:03:03 UTC 2023
Edited
by admin
on Sat Dec 16 05:03:03 UTC 2023
Record UNII
308PA1L567
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENDOXIFEN HYDROCHLORIDE
Common Name English
PHENOL, 4-((1Z)-1-(4-(2-(METHYLAMINO)ETHOXY)PHENYL)-2-PHENYL-1-BUTEN-1-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1821
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
Code System Code Type Description
FDA UNII
308PA1L567
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
PRIMARY
CAS
1197194-41-4
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
1032008-74-4
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
PRIMARY
NSC
750393
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
PRIMARY
PUBCHEM
54613017
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
PRIMARY
NCI_THESAURUS
C95713
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
PRIMARY NCIT
EPA CompTox
DTXSID10145698
Created by admin on Sat Dec 16 05:03:03 UTC 2023 , Edited by admin on Sat Dec 16 05:03:03 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY