FASITIBANT CHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H49Cl2N6O6S.Cl
Molecular Weight	800.235
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CC1=NC2=C(C=CC=C2OCC3=C(Cl)C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)[C@@H](N)CCC[N+](C)(C)C)C(C)=C1

InChI

InChIKey=ZNHJDJYKDVGQSH-JMAPEOGHSA-M

InChI=1S/C36H49Cl2N6O6S.ClH/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5;/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3;1H/q+1;/p-1/t29-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C36H49Cl2N6O6S
Molecular Weight	764.782
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:13:24 UTC 2023` Edited by `admin` on `Fri Dec 15 20:13:24 UTC 2023`
Record UNII	7J764K70IG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FASITIBANT CHLORIDE

Official Name

English

fasitibant chloride [INN]

Common Name

English

(4S)-4-AMINO-5-(4-(4-(2,4-DICHLORO-3-(((2,4-DIMETHYLQUINOLIN-8-YL)OXY)METHYL)BENZENESULFONAMIDO)OXANE-4-CARBONYL)PIPERAZIN-1-YL)-N,N,N-TRIMETHYL-5-OXOPENTAN-1-AMINIUM CHLORIDE

Common Name

English

1-PIPERAZINEPENTANAMINIUM, .DELTA.-AMINO-4-((4-(((2,4-DICHLORO-3-(((2,4-DIMETHYL-8-QUINOLINYL)OXY)METHYL)PHENYL)SULFONYL)AMINO)TETRAHYDRO-2H-PYRAN-4-YL)CARBONYL)-N,N,N-TRIMETHYL-.EPSILON.-OXO-, CHLORIDE (1:1), (.DELTA.S)-

Common Name

English

Fasitibant chloride [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

11535140