ETHYL (2S)-2-((3S,8AS)-3-METHYL-1,4-DIOXOHEXAHYDROSPIRO(1,3-DITHIOLANE-2,7(6H)-PYRROLO(1,2-A)PYRAZIN)-2-YL)-4-PHENYLBUTANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28N2O4S2
Molecular Weight	448.599
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL (2S)-2-((3S,8AS)-3-METHYL-1,4-DIOXOHEXAHYDROSPIRO(1,3-DITHIOLANE-2,7(6H)-PYRROLO(1,2-A)PYRAZIN)-2-YL)-4-PHENYLBUTANOATE

Structure Search

SMILES

[H][C@@]12CC4(CN1C(=O)[C@H](C)N([C@@H](CCC3=CC=CC=C3)C(=O)OCC)C2=O)SCCS4

InChI

InChIKey=GXQPICLTXLTIEY-SZMVWBNQSA-N

InChI=1S/C22H28N2O4S2/c1-3-28-21(27)17(10-9-16-7-5-4-6-8-16)24-15(2)19(25)23-14-22(29-11-12-30-22)13-18(23)20(24)26/h4-8,15,17-18H,3,9-14H2,1-2H3/t15-,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O4S2
Molecular Weight	448.599
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 `Sat Dec 16 14:39:01 GMT 2023` Edited by `admin` on `Sat Dec 16 14:39:01 GMT 2023`
Record UNII	HE94QDB4KA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL (2S)-2-((3S,8AS)-3-METHYL-1,4-DIOXOHEXAHYDROSPIRO(1,3-DITHIOLANE-2,7(6H)-PYRROLO(1,2-A)PYRAZIN)-2-YL)-4-PHENYLBUTANOATE

Systematic Name

English

SPIRAPRIL HYDROCHLORIDE MONOHYDRATE IMPURITY A [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

HE94QDB4KA

Created by admin on Sat Dec 16 14:39:01 GMT 2023 , Edited by admin on Sat Dec 16 14:39:01 GMT 2023

PRIMARY

PUBCHEM

155928846

Created by admin on Sat Dec 16 14:39:01 GMT 2023 , Edited by admin on Sat Dec 16 14:39:01 GMT 2023

PRIMARY

Related Record Type Details


					9E0E9OWH0B

SPIRAPRIL HYDROCHLORIDE MONOHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: