Registration Dossier

Reference substances

Reference substances

IUPAC name:
(aS)-methyl alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate 2-propyl sulfate

Inventory

CAS number:
684269-94-1
Synonyms
Names:
5(4,5,6,7-Tetrahydro(3,2-c)thienopyridyl)(2-chlorophenyl)acetate isopropyl sulfate

Molecular and structural information

Molecular formula:
C19H24ClNO6S2
Molecular weight:
461.98
SMILES notation:
CC(OS(=O)(O)=O)C.ClC1=CC=CC=C1[C@H](N2CCC3=C(C2)C=CS3)C(OC)=O
InChl:
InChI=1/C16H16ClNO2S.C3H8O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-3(2)7-8(4,5)6/h2-5,7,9,15H,6,8,10H2,1H3;3H,1-2H3,(H,4,5,6)/t15-;/m1./s1/i1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-12,10-12,11-12,12-12,13-12,14-12,15-12,16-12,17-35,18-14,19-16,20-16,21-32;1-12,2-12,3-12,4-16,5-16,6-16,7-16,8-32
Structural formula:
Chemical structure

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