U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

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 UTC 2023 , Edited by admin on Sat Dec 16 14:39:01 UTC 2023
PRIMARY
PUBCHEM
155928846
Created by admin on Sat Dec 16 14:39:01 UTC 2023 , Edited by admin on Sat Dec 16 14:39:01 UTC 2023
PRIMARY