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Substance Name: Carbamic acid, (phenylmethyl)-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 139760-98-8
InChIKey: PYBWRQFPVGNIDY-OYGOERBASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O2.C20-H18-O8

Molecular Weight

  • 736.8136
 
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Names and Synonyms

  • Carbamic acid, (phenylmethyl)-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 139760-98-8

System Generated Number

  • 0139760988

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C20-H18-O8
  • C22-H26-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O2.C20H18O8/c1-3-24-12-11-22(2)19-10-9-18(13-17(19)14-20(22)24)26-21(25)23-15-16-7-5-4-6-8-16;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h4-10,13,20H,3,11-12,14-15H2,1-2H3,(H,23,25);3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t20-,22+;15-,16-/m11/s1

InChIKey

PYBWRQFPVGNIDY-OYGOERBASA-N

Smiles

CCN1CC[C@@]2([C@H]1Cc3c2ccc(c3)OC(=O)NCc4ccccc4)C.Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2mg/kg (2mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1429, 1992.