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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H11NO2S2.BrH
Molecular Weight 286.21
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID HYDROBROMIDE, (S)-

SMILES

Br.[H][C@]1(CC2(CN1)SCCS2)C(O)=O

InChI

InChIKey=DXALUCGGSBGKIY-JEDNCBNOSA-N
InChI=1S/C7H11NO2S2.BrH/c9-6(10)5-3-7(4-8-5)11-1-2-12-7;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID HYDROBROMIDE, (S)-
Systematic Name English
1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID, HYDROBROMIDE (1:1), (8S)-
Systematic Name English
Code System Code Type Description
FDA UNII
K405J5WI0V
Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023
PRIMARY
CAS
75776-79-3
Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023
PRIMARY
PUBCHEM
12811393
Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID70997175
Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023
PRIMARY
CAS
1219394-47-4
Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY