MCN-5652X68

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H21NS.ClHO4
Molecular Weight	395.9
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCl(=O)(=O)=O.[H][C@]12CCCN1C[C@@H](C3=CC=C(SC)C=C3)C4=C2C=CC=C4

InChI

InChIKey=PBALTVQMQFVDBV-GRTNUQQKSA-N

InChI=1S/C19H21NS.ClHO4/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;2-1(3,4)5/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;(H,2,3,4,5)/t18-,19+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClHO4
Molecular Weight	100.459
Charge	0
Count

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

Molecular Formula	C19H21NS
Molecular Weight	295.442
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:05:46 UTC 2023` Edited by `admin` on `Sat Dec 16 11:05:46 UTC 2023`
Record UNII	5KXU86QWCS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MCN-5652X68

Common Name

English

PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)-, (6S,10BR)-, PERCHLORATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

146919

Created by admin on Sat Dec 16 11:05:46 UTC 2023 , Edited by admin on Sat Dec 16 11:05:46 UTC 2023

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FDA UNII

5KXU86QWCS

Created by admin on Sat Dec 16 11:05:46 UTC 2023 , Edited by admin on Sat Dec 16 11:05:46 UTC 2023

PRIMARY

CAS

109214-59-7

Created by admin on Sat Dec 16 11:05:46 UTC 2023 , Edited by admin on Sat Dec 16 11:05:46 UTC 2023

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ACTIVE MOIETY