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Substance Name: 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, (1,4-piperazinediyl)diethylene ester, (S-(R*,R*))-, bis(methanesulfonate)
RN: 97699-71-3
InChIKey: MANBPXYAOYAPHG-HWTGJJCHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H42-N2-O6.2C-H4-O3-S

Molecular Weight

  • 790.947
 
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Names and Synonyms

Synonyms

  • N,N'-Di(alpha-(6-metossi-2-naftil)propionilossi-2-etil)piperazina dimetansolfonato
  • N,N'-Di(alpha-(6-metossi-2-naftil)propionilossi-2-etil)piperazina dimetansolfonato [Italian]

Systematic Name

  • 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, (1,4-piperazinediyl)diethylene ester, (S-(R*,R*))-, bis(methanesulfonate)

Registry Numbers

CAS Registry Number

  • 97699-71-3

System Generated Number

  • 0097699713

Molecular Formulas

Molecular Formula

  • C36-H42-N2-O6.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C36-H42-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C36H42N2O6.2CH4O3S/c1-25(27-5-7-31-23-33(41-3)11-9-29(31)21-27)35(39)43-19-17-37-13-15-38(16-14-37)18-20-44-36(40)26(2)28-6-8-32-24-34(42-4)12-10-30(32)22-28;2*1-5(2,3)4/h5-12,21-26H,13-20H2,1-4H3;2*1H3,(H,2,3,4)/t25-,26-;;/m0../s1

InChIKey

MANBPXYAOYAPHG-HWTGJJCHSA-N

Smiles

N1(CCN(CC1)CCOC(=O)[C@H](c1cc2c(cc1)cc(cc2)OC)C)CCOC(=O)[C@H](c1cc2c(cc1)cc(cc2)OC)C.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2100mg/kg (2100mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 334, 1985.
rat LD50 oral > 10gm/kg (10000mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 334, 1985.