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Substance Name: 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. (9CI)
RN: 115116-41-1
InChIKey: UEZQAUSANWRYHE-AIBXSHGGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H45-N-O7.Cl-H.3/2H2-O

Molecular Weight

  • 544.1244
 
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Names and Synonyms

  • 1-Piperidinepropanoic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-, hydrochloride, hydrate (2:2:3)
  • 1H-Naphtho(2,1-b)pyran, 1-piperidinepropanoic acid, deriv. (9CI)

Registry Numbers

CAS Registry Number

  • 115116-41-1

System Generated Number

  • 0115116411

Molecular Formulas

Molecular Formula

  • C28-H45-N-O7.Cl-H.3/2H2-O

Molecular Formula Fragments

  • C28-H45-N-O7
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H45NO7.ClH/c1-7-25(4)17-19(31)28(34)26(5)18(30)11-13-24(2,3)22(26)21(23(33)27(28,6)36-25)35-20(32)12-16-29-14-9-8-10-15-29;/h7,18,21-23,30,33-34H,1,8-17H2,2-6H3;1H/t18-,21-,22-,23-,25+,26-,27+,28-;/m1./s1

InChIKey

UEZQAUSANWRYHE-AIBXSHGGSA-N

Smiles

C[C@@]1(CC(=O)[C@]2([C@@]3([C@@H](CCC([C@H]3[C@H]([C@H]([C@@]2(O1)C)O)OC(=O)CCN4CCCCC4)(C)C)O)C)O)C=C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1872, 1988.