MAROPITANT CITRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H40N2O.C6H8O7.H2O
Molecular Weight	678.8116
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC=C(C=C1CN[C@H]2C3CCN(CC3)[C@H]2C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C

InChI

InChIKey=PGVSXRHFXJOMGW-YBZGWEFGSA-N

InChI=1S/C32H40N2O.C6H8O7.H2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t30-,31-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C32H40N2O
Molecular Weight	468.6728
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H8O7
Molecular Weight	192.1235
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 16:10:02 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:02 UTC 2023`
Record UNII	LXN6S3999X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAROPITANT CITRATE

Official Name

English

1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, N-((5-(1,1-DIMETHYLETHYL)-2-METHOXYPHENYL)METHYL)-2-(DIPHENYLMETHYL)-, (2S,3S)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1), MONOHYDRATE

Common Name

English

CJ-11,972

Code

English

MAROPITANT CITRATE MONOHYDRATE [MI]

Common Name

English

CJ-11972

Code

English

(2S,3S)-N-[5-(1,1-Dimethylethyl)-2-methoxybenzyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine 2-hydroxy-1,2,3-propanetricarboxylate (1:1), monohydrate

Common Name

English

MAROPITANT CITRATE MONOHYDRATE

Common Name

English

MAROPITANT CITRATE [USAN]

Common Name

English

CERENIA

Brand Name

English

MAROPITANT CITRATE [EMA EPAR VETERINARY]

Common Name

English

Classification Tree Code System Code

EMA VETERINARY ASSESSMENT REPORTS

CERENIA (AUTHORISED)