AGOMELATINE CITRIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H17NO2.C6H8O7
Molecular Weight	435.4245
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1

InChI

InChIKey=JPAYITIGCPEZCD-UHFFFAOYSA-N

InChI=1S/C15H17NO2.C6H8O7/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,10H,8-9H2,1-2H3,(H,16,17);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

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

Molecular Formula	C15H17NO2
Molecular Weight	243.301
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 16:37:21 UTC 2023` Edited by `admin` on `Sat Dec 16 16:37:21 UTC 2023`
Record UNII	A17BS39YWR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AGOMELATINE CITRIC ACID

Common Name

English

ACETAMIDE, N-(2-(7-METHOXY-1-NAPHTHALENYL)ETHYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Common Name

English

AGOMELATINE CITRATE

Common Name

English

Agomelatine citric acid [WHO-DD]

Common Name

English

Code System Code Type Description

FDA UNII

A17BS39YWR

Created by admin on Sat Dec 16 16:37:21 UTC 2023 , Edited by admin on Sat Dec 16 16:37:21 UTC 2023

PRIMARY

CAS

1403960-81-5

Created by admin on Sat Dec 16 16:37:21 UTC 2023 , Edited by admin on Sat Dec 16 16:37:21 UTC 2023

PRIMARY

SMS_ID

100000172035

Created by admin on Sat Dec 16 16:37:21 UTC 2023 , Edited by admin on Sat Dec 16 16:37:21 UTC 2023

PRIMARY

PUBCHEM

66574442

Created by admin on Sat Dec 16 16:37:21 UTC 2023 , Edited by admin on Sat Dec 16 16:37:21 UTC 2023

PRIMARY

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