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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33NO2
Molecular Weight 379.535
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CROBENETINE

SMILES

[H][C@]12CC3=C(O)C=CC=C3[C@](C)(CCN1C[C@H](C)OCC4=CC=CC=C4)C2(C)C

InChI

InChIKey=VCCBCXVFGHTDQN-UODBTFMRSA-N
InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H33NO2
Molecular Weight 379.535
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:14:53 UTC 2023
Edited
by admin
on Fri Dec 15 16:14:53 UTC 2023
Record UNII
Q72DWI2G4C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CROBENETINE
INN   WHO-DD  
INN  
Official Name English
Crobenetine [WHO-DD]
Common Name English
(2R,6S)-3-((2S)-2-(BENZYLOXY)PROPYL)-1,2,3,4,5,6-HEXAHYDRO-6,11,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-10-OL
Common Name English
crobenetine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
Code System Code Type Description
INN
7949
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
CAS
221019-25-6
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
NCI_THESAURUS
C81391
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID10944744
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104084
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
PUBCHEM
9886143
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
SMS_ID
300000036990
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
FDA UNII
Q72DWI2G4C
Created by admin on Fri Dec 15 16:14:53 UTC 2023 , Edited by admin on Fri Dec 15 16:14:53 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Binds preferentially to Na+ channels in their inactivated state. A high-affinity, stimulus-dependent blocker at the local anesthetic receptor site.
ALLOSTERIC
IC50
Related Record Type Details
ACTIVE MOIETY