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Details

Stereochemistry RACEMIC
Molecular Formula C11H15NO2
Molecular Weight 193.2423
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXEPANOL

SMILES

CN[C@@H]1COC2=C(C=CC=C2)[C@H](O)C1

InChI

InChIKey=JWUPWOYNGNTOKD-WCBMZHEXSA-N
InChI=1S/C11H15NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-5,8,10,12-13H,6-7H2,1H3/t8-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H15NO2
Molecular Weight 193.2423
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Exepanol (KC 2450), a benzoxepine derivative, is a gastrokinetic. It facilitated the peristaltic reflex. Exepanol enhances resting pressure of the lower esophageal sphincter.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:18:44 GMT 2023
Edited
by admin
on Fri Dec 15 17:18:44 GMT 2023
Record UNII
5CF9F84B3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EXEPANOL
INN  
INN  
Official Name English
exepanol [INN]
Common Name English
(±)-CIS-2,3,4,5-TETRAHYDRO-3-(METHYLAMINO)-1-BENZOXEPIN-5-OL
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C66880
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
Code System Code Type Description
CAS
77416-65-0
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
NCI_THESAURUS
C81455
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
EVMPD
SUB07493MIG
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
PUBCHEM
71162
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
FDA UNII
5CF9F84B3A
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
ChEMBL
CHEMBL2218853
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
MESH
C045026
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
SMS_ID
100000081549
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
INN
5095
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID301024600
Created by admin on Fri Dec 15 17:18:44 GMT 2023 , Edited by admin on Fri Dec 15 17:18:44 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY