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

Details

Stereochemistry ACHIRAL
Molecular Formula C27H28N2O4
Molecular Weight 444.5222
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NITROMIFENE

SMILES

COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+]([O-])=O)C3=CC=C(OCCN4CCCC4)C=C3

InChI

InChIKey=MFKMXUFMHOCZHP-RQZHXJHFSA-N
InChI=1S/C27H28N2O4/c1-32-24-13-9-21(10-14-24)26(27(29(30)31)23-7-3-2-4-8-23)22-11-15-25(16-12-22)33-20-19-28-17-5-6-18-28/h2-4,7-16H,5-6,17-20H2,1H3/b27-26-

HIDE SMILES / InChI

Molecular Formula C27H28N2O4
Molecular Weight 444.5222
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 Fri Dec 15 16:24:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:24:40 UTC 2023
Record UNII
5FS1NJ6Q8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITROMIFENE
INN  
INN  
Official Name English
nitromifene [INN]
Common Name English
1-(2-(P-(.ALPHA.-(P-METHOXYPHENYL)-.BETA.-NITROSTYRYL)PHENOXY)ETHYL)PYRROLIDINE
Common Name English
PYRROLIDINE, 1-(2-(4-(1-(4-METHOXYPHENYL)-2-NITRO-2-PHENYLETHENYL)PHENOXY)ETHYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C481
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C90720
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
WIKIPEDIA
Nitromifene
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
SMS_ID
100000084122
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID50883143
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
CAS
10448-84-7
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
EVMPD
SUB09327MIG
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
FDA UNII
5FS1NJ6Q8N
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105203
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
INN
3773
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
PUBCHEM
22150
Created by admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY