TRIMEBUTINE MALEATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H29NO5.C4H4O4
Molecular Weight	503.5415
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TRIMEBUTINE MALEATE

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C2=CC=CC=C2

InChI

InChIKey=FSRLGULMGJGKGI-BTJKTKAUSA-N

InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C22H29NO5
Molecular Weight	387.4694
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:45:10 UTC 2023` Edited by `admin` on `Fri Dec 15 15:45:10 UTC 2023`
Record UNII	2A051GM4YM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMEBUTINE MALEATE

Common Name

English

TRIMEBUTINE MALEATE [JAN]

Common Name

English

TRIMEBUTINE MALEATE [MI]

Common Name

English

2-DIMETHYLAMINO-2-PHENYLBUTYL 3,4,5-TRIMETHOXYBENZOATE HYDROGEN MALEATE

Systematic Name

English

TRIMEBUTINE MALEATE SALT

Common Name

English

Trimebutine maleate [WHO-DD]

Common Name

English

NSC-758900

Code

English

TRIMEBUTINE MALEATE [EP MONOGRAPH]

Common Name

English

TRIMEBUTINE MALEATE [MART.]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID5046017

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

ECHA (EC/EINECS)

251-845-9

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

PUBCHEM

5282423

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

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MERCK INDEX

m11138

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

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Merck Index

DRUG BANK

DBSALT001129

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

ChEMBL

CHEMBL190044

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

RXCUI

262296

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

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RxNorm

CAS

39133-32-9

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

SUPERSEDED

FDA UNII

2A051GM4YM

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

NSC

758900

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

EVMPD

SUB04966MIG

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

SMS_ID

100000091111

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

CAS

34140-59-5

Created by admin on Fri Dec 15 15:45:10 UTC 2023 , Edited by admin on Fri Dec 15 15:45:10 UTC 2023

PRIMARY

Related Record Type Details


					QZ1OJ92E5R

PARENT -> SALT/SOLVATE

Related Record Type Details


					XKX4ZZ0DJC

(1RS)-1-((DIMETHYLAMINO)METHYL)-1-PHENYLPROPYL 3,4,5-TRIMETHOXYBENZOATE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					OI1BF6F0VD

NOR-TRIMEBUTINE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					QFP1LSC7TK

METHYL 3,4,5-TRIMETHOXYBENZOATE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP


					IM2T99PCL3

(2RS)-2-(DIMETHYLAMINO)-2-PHENYLBUTANOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					V5C9H0SC9F

3,4,5-TRIMETHOXYBENZOIC ACID

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					QZ1OJ92E5R

ACTIVE MOIETY