Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (2E)-2-butenedioate (1:2)

CAS Registry Number®

522-23-6

CAS Name

Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (2E)-2-butenedioate (1:2)

Molecular Formula

C31H36ClN3O5S.2C4H4O4

Cite this Page

Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (2E)-2-butenedioate (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=522-23-6 (retrieved 2024-12-23) (CAS RN: 522-23-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    107 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C31H36ClN3O5S.C4H4O4/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35;5-3(6)1-2-4(7)8/h4-5,7-10,19-21H,6,11-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

InChIKey=RCJSPEGWDNYZCS-WLHGVMLRSA-N

SMILES

C(CCN1CCN(CCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1)N3C=4C(SC=5C3=CC=CC5)=CC=C(Cl)C4.C(=C/C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.O=C(OCCN1CCN(CC1)CCCN2C=3C=CC=CC3SC4=CC=C(Cl)C=C42)C5=CC(OC)=C(OC)C(OC)=C5

Other Names for this Substance

  • Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (2E)-2-butenedioate (1:2)
  • Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester fumarate (1:2)
  • Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, (E)-2-butenedioate (1:2)
  • Benzoic acid, 3,4,5-trimethoxy-, 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazinyl]ethyl ester, difumarate
  • Frenolon

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Deleted or Replaced CAS Registry Numbers

12684-24-1, 18652-92-1, 57325-17-4

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.