MOEXIPRILAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H30N2O7
Molecular Weight	470.5149
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MOEXIPRILAT

Structure Search

SMILES

COC1=CC2=C(CN([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(O)=O)C=C1OC

InChI

InChIKey=CMPAGYDKASJORH-YSSFQJQWSA-N

InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H30N2O7
Molecular Weight	470.5149
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 16:21:24 UTC 2023` Edited by `admin` on `Fri Dec 15 16:21:24 UTC 2023`
Record UNII	H3753190JS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOEXIPRILAT

Official Name

English

(3S)-2-((2S)-N-((1S)-1-CARBOXY-3-PHENYLPROPYL)ALANYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-3-ISOQUINOLINECARBOXYLIC ACID

Systematic Name

English

RS-10029

Code

English

moexiprilat [INN]

Common Name

English

MOEXIPRIL RELATED COMPOUND A [USP IMPURITY]

Common Name

English

3-ISOQUINOLINECARBOXYLIC ACID, 2-(2-((1-(CARBOXY)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, (3S-(2(R*(R*)),3R*))-

Common Name

English

(3S)-2-((2S)-2-(((1S)-1-(CARBOXY)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-3-ISOQUINOLINECARBOXYLIC ACID

Systematic Name

English

3-ISOQUINOLINECARBOXYLIC ACID, 2-((2S)-2-(((1S)-1-CARBOXY-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, (3S)-

Systematic Name

English

MOEXIPRIL RELATED COMPOUND A

Common Name

English

MOEXIPRIL RELATED COMPOUND A [USP-RS]

Common Name

English

Moexiprilat [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C247

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

NDF-RT

N0000175562

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

Code System Code Type Description

MESH

C059506

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

PRIMARY

EPA CompTox

DTXSID6057611

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

PRIMARY

PUBCHEM

55331

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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ChEMBL

CHEMBL1201405

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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DAILYMED

H3753190JS

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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RS_ITEM_NUM

1445608

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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FDA UNII

H3753190JS

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

PRIMARY

CAS

103775-14-0

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

PRIMARY

SMS_ID

100000080351

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

PRIMARY

NCI_THESAURUS

C66175

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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DRUG BANK

DB14210

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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EVMPD

SUB09031MIG

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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RXCUI

1546358

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

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RxNorm

INN

6946

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

PRIMARY

IUPHAR

6572

Created by admin on Fri Dec 15 16:21:24 UTC 2023 , Edited by admin on Fri Dec 15 16:21:24 UTC 2023

PRIMARY

Related Record Type Details


					54BP281YEW

MOEXIPRILAT HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					J90D0W173C

DIKETOPIPERAZINE MOEXIPRILAT

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

FECAL; PLASMA; URINE


					WT87C52TJZ

MOEXIPRIL

PRODRUG -> METABOLITE ACTIVE

Related Record Type Details


					H3753190JS

ACTIVE MOIETY