Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-beta-methyl-, (Z)-2-butenedioate (1:2)
RN: 61015-61-0
InChIKey: ADRGKTKYEMDVFG-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 635.1305
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • VUFB10,078

Systematic Name

  • 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-beta-methyl-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 61015-61-0

System Generated Number

  • 0061015610

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C22-H27-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27ClN2OS.2C4H4O4/c1-16-18-5-2-3-6-20(18)27-21-8-7-17(23)15-19(21)22(16)25-12-10-24(11-13-25)9-4-14-26;2*5-3(6)1-2-4(7)8/h2-3,5-8,15-16,22,26H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

ADRGKTKYEMDVFG-LVEZLNDCSA-N

Smiles

CC1C(c2c(ccc(c2)Cl)Sc3c1cccc3)N4CCN(CC4)CCCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 109mg/kg (109mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.