SPIRAPRILAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26N2O5S2
Molecular Weight	438.561
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SPIRAPRILAT

Structure Search

SMILES

C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N2CC3(C[C@H]2C(O)=O)SCCS3

InChI

InChIKey=FMMDBLMCSDRUPA-BPUTZDHNSA-N

InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H26N2O5S2
Molecular Weight	438.561
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 15:50:14 UTC 2023` Edited by `admin` on `Fri Dec 15 15:50:14 UTC 2023`
Record UNII	QS56V5Y7EC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPIRAPRILAT

Official Name

English

SCH-33861

Code

English

spiraprilat [INN]

Common Name

English

SPIRAPRIL DIACID

Common Name

English

SPIRAPRILAT [USAN]

Common Name

English

(8S)-7-((2S)-2-(((1S)-1-CARBOXY-3-PHENYLPROPYL)AMINO)PROPANOYL)-1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID

Systematic Name

English

SPIRAPRIL DIACID [MI]

Common Name

English

SPIRAPRIL HYDROCHLORIDE MONOHYDRATE IMPURITY B [EP IMPURITY]

Common Name

English

(2S)-3-((2S)-2-(((1S)-1-CARBOXY-3-PHENYL-PROPYL)AMINO)PROPANOYL)-6,9-DITHIA-3-AZASPIRO(4.4)NONANE-2-CARBOXYLIC ACID

Systematic Name

English

SCH 33861

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C247

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

Code System Code Type Description

SMS_ID

100000083804

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

EPA CompTox

DTXSID30232453

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

INN

6357

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

IUPHAR

6576

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

MESH

C076884

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

USAN

AA-32

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

CAS

83602-05-5

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

ChEMBL

CHEMBL579

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

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NCI_THESAURUS

C152419

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

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WIKIPEDIA

Spiraprilat

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

PUBCHEM

3033702

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

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MERCK INDEX

m10150

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

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Merck Index

FDA UNII

QS56V5Y7EC

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

EVMPD

SUB10621MIG

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

CHEBI

141522

Created by admin on Fri Dec 15 15:50:14 UTC 2023 , Edited by admin on Fri Dec 15 15:50:14 UTC 2023

PRIMARY

Related Record Type Details


					9E0E9OWH0B

SPIRAPRIL HYDROCHLORIDE MONOHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					QS56V5Y7EC

ACTIVE MOIETY