TEMOCAPRIL

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N2O5S2
Molecular Weight	476.609
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TEMOCAPRIL

Structure Search

SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(CC(O)=O)C2=O)C3=CC=CS3

InChI

InChIKey=FIQOFIRCTOWDOW-BJLQDIEVSA-N

InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28N2O5S2
Molecular Weight	476.609
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 15:06:39 UTC 2023` Edited by `admin` on `Fri Dec 15 15:06:39 UTC 2023`
Record UNII	18IZ008EU6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TEMOCAPRIL

Official Name

English

TEMOCAPRIL [MI]

Common Name

English

(+)-(2S,6R)-6-(((1S)-1-CARBOXY-3-PHENYLPROPYL)AMINO)TETRAHYDRO-5-OXO-2-(2-THIENYL)-1,4-THIAZEPINE-4(5H)-ACETIC ACID, 6-ETHYL ESTER

Common Name

English

Temocapril [WHO-DD]

Common Name

English

temocapril [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C247

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

WHO-ATC

C09AA14

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

WHO-VATC

QC09AA14

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

Code System Code Type Description

EVMPD

SUB10884MIG

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

EPA CompTox

DTXSID3048239

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

MESH

C055603

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

DRUG BANK

DB08836

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

NCI_THESAURUS

C99555

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

SMS_ID

100000082925

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

DRUG CENTRAL

2586

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

CAS

111902-57-9

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

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FDA UNII

18IZ008EU6

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

PUBCHEM

443874

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

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WIKIPEDIA

TEMOCAPRIL

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

MERCK INDEX

m10549

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

Merck Index

INN

6712

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110627

Created by admin on Fri Dec 15 15:06:39 UTC 2023 , Edited by admin on Fri Dec 15 15:06:39 UTC 2023

PRIMARY

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TEMOCAPRIL HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

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METABOLITE ACTIVE -> PRODRUG

Amount:

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ACTIVE MOIETY

Amount: