ANATIBANT MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H36Cl2N6O5S.CH4O3S
Molecular Weight	807.764
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC1=NC2=C(C=CC=C2OCC3=C(Cl)C(=CC=C3Cl)S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)C5=CC=C(C=C5)C(N)=N)C(C)=C1

InChI

InChIKey=XSDHLAGTQUKMIQ-YCBFMBTMSA-N

InChI=1S/C34H36Cl2N6O5S.CH4O3S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38;1-5(2,3)4/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44);1H3,(H,2,3,4)/t27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C34H36Cl2N6O5S
Molecular Weight	711.658
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
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 `Sat Dec 16 13:44:28 UTC 2023` Edited by `admin` on `Sat Dec 16 13:44:28 UTC 2023`
Record UNII	SD3N4DR0VY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANATIBANT MESYLATE

Common Name

English

ANATIBANT MESILATE

Common Name

English

2-PYRROLIDINECARBOXAMIDE, N-(3-((4-(AMINOIMINOMETHYL)BENZOYL)AMINO)PROPYL)-1-((2,4-DICHLORO-3-(((2,4-DIMETHYL-8-QUINOLINYL)OXY)METHYL)PHENYL)SULFONYL)-, (2S)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

SD3N4DR0VY