FR-226928

Details

Stereochemistry	RACEMIC
Molecular Formula	C31H41N3O3S.2ClH
Molecular Weight	608.662
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.COC1=CC=C2CCCC(CNCC3CCN(CCNS(=O)(=O)C4=C5C=CC=CC5=CC=C4)CC3)CC2=C1

InChI

InChIKey=FQOGTDKCVIAYMN-UHFFFAOYSA-N

InChI=1S/C31H41N3O3S.2ClH/c1-37-29-13-12-26-8-4-6-25(20-28(26)21-29)23-32-22-24-14-17-34(18-15-24)19-16-33-38(35,36)31-11-5-9-27-7-2-3-10-30(27)31;;/h2-3,5,7,9-13,21,24-25,32-33H,4,6,8,14-20,22-23H2,1H3;2*1H

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	C31H41N3O3S
Molecular Weight	535.741
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:26 UTC 2023` Edited by `admin` on `Sat Dec 16 08:55:26 UTC 2023`
Record UNII	N90ZIX4R27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-226928

Common Name

English

1-NAPHTHALENESULFONAMIDE, N-(2-(4-((((6,7,8,9-TETRAHYDRO-3-METHOXY-5H-BENZOCYCLOHEPTEN-6-YL)METHYL)AMINO)METHYL)-1-PIPERIDINYL)ETHYL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

1-NAPHTHALENESULFONAMIDE, N-(2-(4-((((6,7,8,9-TETRAHYDRO-3-METHOXY-5H-BENZOCYCLOHEPTEN-6-YL)METHYL)AMINO)METHYL)-1-PIPERIDINYL)ETHYL)-, DIHYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

CAS

345955-69-3

Created by admin on Sat Dec 16 08:55:26 UTC 2023 , Edited by admin on Sat Dec 16 08:55:26 UTC 2023

PRIMARY

FDA UNII

N90ZIX4R27

Created by admin on Sat Dec 16 08:55:26 UTC 2023 , Edited by admin on Sat Dec 16 08:55:26 UTC 2023

PRIMARY

PUBCHEM

72941807

Created by admin on Sat Dec 16 08:55:26 UTC 2023 , Edited by admin on Sat Dec 16 08:55:26 UTC 2023

PRIMARY

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