Promethazine theoclate

CAS Registry Number®

17693-51-5
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CAS Name

Promethazine theoclate

Molecular Formula

C17H20N2S.C7H7ClN4O2

Cite this Page

Promethazine theoclate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17693-51-5 (retrieved 2024-09-07) (CAS RN: 17693-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)

InChIKey

InChIKey=YCXARMXCESBEDS-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(Cl)N2.C(C(N(C)C)C)N1C=2C(SC=3C1=CC=CC3)=CC=CC2

Canonical SMILES

O=C1C=2NC(Cl)=NC2N(C(=O)N1C)C.S1C=2C=CC=CC2N(C=3C=CC=CC13)CC(N(C)C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-, compd. with N,N,α-trimethyl-10H-phenothiazine-10-ethanamine (1:1)
  • Theophylline, 8-chloro-, compd. with 10-[2-(dimethylamino)propyl]phenothiazine (1:1)
  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compd. with N,N,α-trimethyl-10H-phenothiazine-10-ethanamine (1:1)
  • Theophylline, 8-chloro-, compd. with 10-(2-dimethylaminopropyl)phenothiazine
  • Phenothiazine, 10-[2-(dimethylamino)propyl]-, compd. with 8-chlorotheophylline (1:1)

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