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

Details

Stereochemistry RACEMIC
Molecular Formula C23H27NO2
Molecular Weight 349.466
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PITUXATE

SMILES

O=C(OCCN1CCCCC1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=RBGWIGCQQIJVGI-UHFFFAOYSA-N
InChI=1S/C23H27NO2/c25-22(26-17-16-24-14-8-3-9-15-24)21-18-23(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2

HIDE SMILES / InChI

Approval Year

Name Type Language
PITUXATE
INN  
INN  
Official Name English
pituxate [INN]
Common Name English
CYCLOPROPANECARBOXYLIC ACID, 2,2-DIPHENYL-, 2-(1-PIPERIDINYL)ETHYL ESTER
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C66917
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL2105254
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
EVMPD
SUB09947MIG
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
FDA UNII
4728AWF76J
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
CAS
39123-11-0
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-304-5
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50865944
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
INN
4535
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
NCI_THESAURUS
C66439
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
PUBCHEM
65810
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY
SMS_ID
100000081684
Created by admin on Fri Dec 15 15:52:49 GMT 2023 , Edited by admin on Fri Dec 15 15:52:49 GMT 2023
PRIMARY