SPIRAPRIL HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30N2O5S2.ClH.H2O
Molecular Weight	521.09
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SPIRAPRIL HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=YNPQFYHGQPDXFR-GWRZQJEISA-N

InChI=1S/C22H30N2O5S2.ClH.H2O/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H;1H2/t15-,17-,18-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C22H30N2O5S2
Molecular Weight	466.614
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 19:41:26 UTC 2023` Edited by `admin` on `Fri Dec 15 19:41:26 UTC 2023`
Record UNII	9E0E9OWH0B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPIRAPRIL HYDROCHLORIDE MONOHYDRATE

Common Name

English

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

Systematic Name

English

1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID, 7-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-, HYDROCHLORIDE, HYDRATE (1:1:1), (8S)-

Common Name

English

SPIRAPRIL HYDROCHLORIDE MONOHYDRATE [EP MONOGRAPH]

Common Name

English

Code System Code Type Description

CAS

200872-06-6

Created by admin on Fri Dec 15 19:41:26 UTC 2023 , Edited by admin on Fri Dec 15 19:41:26 UTC 2023

PRIMARY

EVMPD

SUB87972