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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H19N
Molecular Weight 285.3823
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INTRIPTYLINE

SMILES

CN(C)CC#CC=C1C2=CC=CC=C2C=CC3=C1C=CC=C3

InChI

InChIKey=OKCODFSHDQKCQN-UHFFFAOYSA-N
InChI=1S/C21H19N/c1-22(2)16-8-7-13-21-19-11-5-3-9-17(19)14-15-18-10-4-6-12-20(18)21/h3-6,9-15H,16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H19N
Molecular Weight 285.3823
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:36:26 GMT 2023
Edited
by admin
on Fri Dec 15 16:36:26 GMT 2023
Record UNII
GU9MLT8VE0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INTRIPTYLINE
INN  
INN  
Official Name English
2-BUTYN-1-AMINE, 4-(5-H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-N,N-DIMETHYL
Systematic Name English
4-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-N,N-DIMETHYL-2-BUTYNYLAMINE
Systematic Name English
AY-22124 FREE BASE
Code English
intriptyline [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID20181885
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
CAS
27466-27-9
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
EVMPD
SUB08202MIG
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
SMS_ID
100000083401
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
NCI_THESAURUS
C65924
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
INN
3109
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
PUBCHEM
71397
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
FDA UNII
GU9MLT8VE0
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
WIKIPEDIA
Intriptyline
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110677
Created by admin on Fri Dec 15 16:36:26 GMT 2023 , Edited by admin on Fri Dec 15 16:36:26 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY