CASOPITANT MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H35F7N4O2.CH4O3S
Molecular Weight	712.719
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C2=C(C)C=C(F)C=C2)N3CCN(CC3)C(C)=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=YRFKYVWDPCOSTE-REWBLLDVSA-N

InChI=1S/C30H35F7N4O2.CH4O3S/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37;1-5(2,3)4/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3;1H3,(H,2,3,4)/t19-,25+,27-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C30H35F7N4O2
Molecular Weight	616.6133
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:34 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:34 UTC 2023`
Record UNII	7VSV9BL497
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CASOPITANT MESYLATE

Official Name

English

CASOPITANT MESYLATE [USAN]

Common Name

English

1-PIPERIDINECARBOXAMIDE, 4-(4-ACETYL-1-PIPERAZINYL)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-, (2R,4S)-, MONOMETHANESULFONATE

Common Name

English

(2R, 4S)-4-(4-ACETYL-PIPERAZIN-1-YL)-2-(4-FLUORO-2-METHYL-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID ((1R)-1-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ETHYL)-METHYLAMIDE METHANESULFONATE

Common Name

English

Casopitant mesilate [WHO-DD]

Common Name

English

GW-679769B

Code

English

CASOPITANT MESILATE

Common Name

English

REZONIC

Brand Name

English

CASOPITANT MESILATE [MART.]

Common Name

English

GW679769B

Code

English

(2R,4S)-4-(4-Acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide methanesulfonate

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265