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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19NOS.ClH
Molecular Weight 273.822
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIB-1553A HYDROCHLORIDE

SMILES

Cl.CN1CCCC1CCSC2=CC=C(O)C=C2

InChI

InChIKey=RJSVKPQKXSMZMT-UHFFFAOYSA-N
InChI=1S/C13H19NOS.ClH/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13;/h4-7,11,15H,2-3,8-10H2,1H3;1H

HIDE SMILES / InChI

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 C13H19NOS
Molecular Weight 237.361
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:40:43 UTC 2023
Edited
by admin
on Sat Dec 16 01:40:43 UTC 2023
Record UNII
JV7CWP9EAF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SIB-1553A HYDROCHLORIDE
Code English
PHENOL, 4-((2-(1-METHYL-2-PYRROLIDINYL)ETHYL)THIO)-, HYDROCHLORIDE (1:1)
Systematic Name English
4-(2-(1-METHYLPYRROLIDIN-2-YL)ETHYLSULFANYL)PHENOL HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
JV7CWP9EAF
Created by admin on Sat Dec 16 01:40:43 UTC 2023 , Edited by admin on Sat Dec 16 01:40:43 UTC 2023
PRIMARY
PUBCHEM
9881989
Created by admin on Sat Dec 16 01:40:43 UTC 2023 , Edited by admin on Sat Dec 16 01:40:43 UTC 2023
PRIMARY
CAS
191611-89-9
Created by admin on Sat Dec 16 01:40:43 UTC 2023 , Edited by admin on Sat Dec 16 01:40:43 UTC 2023
PRIMARY