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Details

Stereochemistry EPIMERIC
Molecular Formula C23H27ClN2O8S
Molecular Weight 526.987
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0
Stereo Comments Stereochemistry at sulfoxide unknown

SHOW SMILES / InChI
Structure of 7-HYDROXYCHLORPROMAZINE SULFOXIDE GLUCURONIDE

SMILES

CN(C)CCCN1C2=CC(Cl)=CC=C2[S+]([O-])C3=C1C=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3

InChI

InChIKey=RCPGKHCGDNTZFC-GUOZVAJKSA-N
InChI=1S/C23H27ClN2O8S/c1-25(2)8-3-9-26-14-6-5-13(11-17(14)35(32)16-7-4-12(24)10-15(16)26)33-23-20(29)18(27)19(28)21(34-23)22(30)31/h4-7,10-11,18-21,23,27-29H,3,8-9H2,1-2H3,(H,30,31)/t18-,19-,20+,21-,23+,35?/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H27ClN2O8S
Molecular Weight 526.987
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WC539X9GR2
Record Status Validated (UNII)
Record Version