((1S)-5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-YL)-((3S)-3-(PYRROLIDIN-1-YLMETHYL)THIOMORPHOLIN-4-YL)METHANONE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24Cl2N2OS.ClH
Molecular Weight	435.839
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ((1S)-5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-YL)-((3S)-3-(PYRROLIDIN-1-YLMETHYL)THIOMORPHOLIN-4-YL)METHANONE HYDROCHLORIDE

Structure Search

SMILES

Cl.ClC1=CC2=C(C=C1Cl)[C@H](CC2)C(=O)N3CCSC[C@@H]3CN4CCCC4

InChI

InChIKey=KSUNRZWFIKXTKO-YYLIZZNMSA-N

InChI=1S/C19H24Cl2N2OS.ClH/c20-17-9-13-3-4-15(16(13)10-18(17)21)19(24)23-7-8-25-12-14(23)11-22-5-1-2-6-22;/h9-10,14-15H,1-8,11-12H2;1H/t14-,15-;/m0./s1

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	C19H24Cl2N2OS
Molecular Weight	399.378
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 09:16:29 GMT 2023` Edited by `admin` on `Sat Dec 16 09:16:29 GMT 2023`
Record UNII	85QBL53HNB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((1S)-5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-YL)-((3S)-3-(PYRROLIDIN-1-YLMETHYL)THIOMORPHOLIN-4-YL)METHANONE HYDROCHLORIDE

Systematic Name

English

THIOMORPHOLINE, 4-((5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-YL)CARBONYL)-3-(1-PYRROLIDINYLMETHYL)-, MONOHYDROCHLORIDE, (S-(R*,R*))-

Common Name

English

THIOMORPHOLINE, 4-((5,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-YL)CARBONYL)-3-(1-PYRROLIDINYLMETHYL)-, MONOHYDROCHLORIDE, (S-(R*,R*))-(MONOHCL SALT (S-(R*,R*))-ISOMER)

Common Name

English

Code System Code Type Description

PUBCHEM

67721121

Created by admin on Sat Dec 16 09:16:29 GMT 2023 , Edited by admin on Sat Dec 16 09:16:29 GMT 2023

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CAS

128453-80-5

Created by admin on Sat Dec 16 09:16:29 GMT 2023 , Edited by admin on Sat Dec 16 09:16:29 GMT 2023

PRIMARY

FDA UNII

85QBL53HNB

Created by admin on Sat Dec 16 09:16:29 GMT 2023 , Edited by admin on Sat Dec 16 09:16:29 GMT 2023

PRIMARY