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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N
Molecular Weight 293.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTRIPTYLINE, (S)-

SMILES

C[C@@H](CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C

InChI

InChIKey=ALELTFCQZDXAMQ-INIZCTEOSA-N
InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H27N
Molecular Weight 293.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:02:13 UTC 2023
Edited
by admin
on Thu Jul 06 16:02:13 UTC 2023
Record UNII
OE8026NXVX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTRIPTYLINE, (S)-
Common Name English
5H-DIBENZO(A,D)CYCLOHEPTENE-5-PROPANAMINE, 10,11-DIHYDRO-N,N,.BETA.-TRIMETHYL-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
OE8026NXVX
Created by admin on Thu Jul 06 16:02:13 UTC 2023 , Edited by admin on Thu Jul 06 16:02:13 UTC 2023
PRIMARY
PUBCHEM
36687760
Created by admin on Thu Jul 06 16:02:13 UTC 2023 , Edited by admin on Thu Jul 06 16:02:13 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER