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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32N4O4.ClH
Molecular Weight 464.986
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOTRAFIBAN HYDROCHLORIDE

SMILES

Cl.CN1CC2=C(N[C@@H](CC(O)=O)C1=O)C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4

InChI

InChIKey=ZTHSAEXVSBEBHE-BDQAORGHSA-N
InChI=1S/C23H32N4O4.ClH/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15;/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29);1H/t20-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LOTRAFIBAN HYDROCHLORIDE
USAN  
USAN  
Official Name English
LOTRAFIBAN HCL
Common Name English
SB-214857-A
Code English
LOTRAFIBAN HYDROCHLORIDE [USAN]
Common Name English
(S)-2,3,4,5-TETRAHYDRO-4-METHYL-3-OXO-7-((4-(4-PIPERIDYL)PIPERIDINO)CARBONYL)-1H-1,4-BENZODIAZEPINE-2-ACETIC ACID, MONOHYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
Code System Code Type Description
USAN
JJ-04
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY
CAS
179599-82-7
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY
PUBCHEM
80275
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY
FDA UNII
GSV7V79C63
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL356301
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY
NCI_THESAURUS
C81572
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY
MESH
C412702
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID5058727
Created by admin on Fri Dec 15 16:07:46 UTC 2023 , Edited by admin on Fri Dec 15 16:07:46 UTC 2023
PRIMARY