Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11β)-, compd. with 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol (1:1)

CAS Registry Number®

5714-75-0

CAS Name

Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11β)-, compd. with 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol (1:1)

Molecular Formula

C25H32O8.C21H26ClN3OS

Cite this Page

Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11β)-, compd. with 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5714-75-0 (retrieved 2024-11-24) (CAS RN: 5714-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H32O8.C21H26ClN3OS/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);1-2,4-7,16,26H,3,8-15H2/t16-,17-,18-,22+,23-,24-,25-;/m0./s1

InChIKey

InChIKey=QKKLKGVIECOSRM-CODXZCKSSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COC(CCC(O)=O)=O)=O)O)[H].C(CCN1CCN(CCO)CC1)N2C=3C(SC=4C2=CC=CC4)=CC=C(Cl)C3

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CCC(=O)O)C4(C)CC(O)C32)C.ClC1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(CCO)CC4

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-, (11β)-, compd. with 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol (1:1)
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(hydrogen succinate), compd. with 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol (1:1)
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(hydrogen succinate), compd. with 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-succinate, compd. with 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol
  • 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, compd. with 11β,17,21-trihydroxy-pregna-1,4-diene-3,20-dione 21-(H succinate)

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