IBD-78 ACETATE, (E)-

CC(O)=O.CNCC\C=C1\C2=C(CCC3=CC=CC=C13)SC=C2

InChIKey=LGRYUIUQCWDBHC-HAZZGOGXSA-N

InChI=1S/C17H19NS.C2H4O2/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17;1-2(3)4/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3;1H3,(H,3,4)/b15-7+;

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:17:41 GMT 2025` Edited by `admin` on `Mon Mar 31 23:17:41 GMT 2025`
Record UNII	QC1U7D4U4J
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

IBD-78 ACETATE, (E)-

Common Name

English

4H-BENZO(4,5)CYCLOHEPTA(1,2-B)THIOPHENE-.DELTA.4,.GAMMA.-PROPYLAMINE, 9,10-DIHYDRO-N-METHYL-, ACETATE, (E)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

118796467

Created by admin on Mon Mar 31 23:17:41 GMT 2025 , Edited by admin on Mon Mar 31 23:17:41 GMT 2025

PRIMARY

FDA UNII

QC1U7D4U4J

Created by admin on Mon Mar 31 23:17:41 GMT 2025 , Edited by admin on Mon Mar 31 23:17:41 GMT 2025

PRIMARY

CAS

5188-77-2

Created by admin on Mon Mar 31 23:17:41 GMT 2025 , Edited by admin on Mon Mar 31 23:17:41 GMT 2025

PRIMARY