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

Details

Stereochemistry MIXED
Molecular Formula C35H52N2O3.ClH
Molecular Weight 585.26
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NABITAN HYDROCHLORIDE

SMILES

Cl.CCCCCC(C)C(C)C1=CC2=C(C(OC(=O)CCCN3CCCCC3)=C1)C4=C(CCN(CC#C)C4)C(C)(C)O2

InChI

InChIKey=KWXQFOPVLBPXHY-UHFFFAOYSA-N
InChI=1S/C35H52N2O3.ClH/c1-7-9-11-15-26(3)27(4)28-23-31(39-33(38)16-14-21-36-19-12-10-13-20-36)34-29-25-37(18-8-2)22-17-30(29)35(5,6)40-32(34)24-28;/h2,23-24,26-27H,7,9-22,25H2,1,3-6H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
NABITAN HYDROCHLORIDE
USAN  
USAN  
Official Name English
8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-[1]benzopyrano[4,3-c]pyridin-10-yl 1-piperidinebutyrate monohydrochloride
Systematic Name English
NABITAN HYDROCHLORIDE [USAN]
Common Name English
SP-106
Code English
NABUTAN HYDROCHLORIDE
Common Name English
NIB
Code English
1-PIPERIDINEBUTANOIC ACID, 8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL ESTER MONOHYDROCHLORIDE-
Common Name English
Code System Code Type Description
FDA UNII
2F3L1A6VXE
Created by admin on Fri Dec 15 17:54:05 UTC 2023 , Edited by admin on Fri Dec 15 17:54:05 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110593
Created by admin on Fri Dec 15 17:54:05 UTC 2023 , Edited by admin on Fri Dec 15 17:54:05 UTC 2023
PRIMARY
NCI_THESAURUS
C166569
Created by admin on Fri Dec 15 17:54:05 UTC 2023 , Edited by admin on Fri Dec 15 17:54:05 UTC 2023
PRIMARY
PUBCHEM
39502
Created by admin on Fri Dec 15 17:54:05 UTC 2023 , Edited by admin on Fri Dec 15 17:54:05 UTC 2023
PRIMARY
CAS
49637-08-3
Created by admin on Fri Dec 15 17:54:05 UTC 2023 , Edited by admin on Fri Dec 15 17:54:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID20964312
Created by admin on Fri Dec 15 17:54:05 UTC 2023 , Edited by admin on Fri Dec 15 17:54:05 UTC 2023
PRIMARY