MCN-5652Z68

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H21NS.ClHO4
Molecular Weight	395.9
Optical Activity	( + / - )
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	C19H21NS
Molecular Weight	295.442
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:08:34 UTC 2023` Edited by `admin` on `Fri Dec 15 18:08:34 UTC 2023`
Record UNII	96GSK40TLP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MCN-5652Z68

Common Name

English

TRANS-MCN-5652Z68

Code

English

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

Code

English

MCN-5652 PERCHLORATE, (±)-

Common Name

English

MCN-5652-Z-68

Code

English

Code System Code Type Description

FDA UNII

96GSK40TLP

Created by admin on Fri Dec 15 18:08:34 UTC 2023 , Edited by admin on Fri Dec 15 18:08:34 UTC 2023

PRIMARY

PUBCHEM

146919

Created by admin on Fri Dec 15 18:08:34 UTC 2023 , Edited by admin on Fri Dec 15 18:08:34 UTC 2023

PRIMARY

CAS

96795-90-3

Created by admin on Fri Dec 15 18:08:34 UTC 2023 , Edited by admin on Fri Dec 15 18:08:34 UTC 2023

PRIMARY

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MCN-5652

ACTIVE MOIETY