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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19NS.ClH
Molecular Weight 305.865
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IBD-78 HYDROCHLORIDE, (E)-

SMILES

Cl.CNCC\C=C1\C2=C(CCC3=C1C=CC=C3)SC=C2

InChI

InChIKey=MPBAKIZMYGJLPQ-HAZZGOGXSA-N
InChI=1S/C17H19NS.ClH/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17;/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3;1H/b15-7+;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H19NS
Molecular Weight 269.404
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:30:43 GMT 2023
Edited
by admin
on Sat Dec 16 10:30:43 GMT 2023
Record UNII
8678ZB7D9W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBD-78 HYDROCHLORIDE, (E)-
Common Name English
4H-BENZO(4,5)CYCLOHEPTA(1,2-B)THIOPHENE-.DELTA.4,.GAMMA.-PROPYLAMINE, 9,10-DIHYDRO-N-METHYL-, HYDROCHLORIDE, TRANS-
Systematic Name English
Code System Code Type Description
CAS
5569-39-1
Created by admin on Sat Dec 16 10:30:43 GMT 2023 , Edited by admin on Sat Dec 16 10:30:43 GMT 2023
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PUBCHEM
118796442
Created by admin on Sat Dec 16 10:30:43 GMT 2023 , Edited by admin on Sat Dec 16 10:30:43 GMT 2023
PRIMARY
FDA UNII
8678ZB7D9W
Created by admin on Sat Dec 16 10:30:43 GMT 2023 , Edited by admin on Sat Dec 16 10:30:43 GMT 2023
PRIMARY