8-Chloro-10-[3-(dimethylamino)propyl]-5-oxido-10H-phenothiazin-3-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

52247-95-7

CAS Name

8-Chloro-10-[3-(dimethylamino)propyl]-5-oxido-10H-phenothiazin-3-yl β-D-glucopyranosiduronic acid

Molecular Formula

C23H27ClN2O8S

Molecular Mass

526.99

Cite this Page

8-Chloro-10-[3-(dimethylamino)propyl]-5-oxido-10H-phenothiazin-3-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52247-95-7 (retrieved 2024-11-25) (CAS RN: 52247-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=RCPGKHCGDNTZFC-GUOZVAJKSA-N

SMILES

C(CCN(C)C)N1C=2C(S(=O)C=3C1=CC=C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C3)=CC=C(Cl)C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=C3C(=C2)S(=O)C4=CC=C(Cl)C=C4N3CCCN(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 8-chloro-10-[3-(dimethylamino)propyl]-5-oxido-10H-phenothiazin-3-yl
  • β-D-Glucopyranosiduronic acid, 8-chloro-10-[3-(dimethylamino)propyl]-10H-phenothiazin-3-yl, S-oxide
  • 8-Chloro-10-[3-(dimethylamino)propyl]-5-oxido-10H-phenothiazin-3-yl β-D-glucopyranosiduronic acid
  • 7-Hydroxychlorpromazine sulfoxide glucuronide

Deleted or Replaced CAS Registry Numbers

2748-44-9

CAS INSIGHTSTM
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