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Substance Name: Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-3a-methyl-1-propylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 139761-02-7
InChIKey: GVAIPTGXQOREQR-XJDCPIKYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-N2-O2.C20-H18-O8

Molecular Weight

  • 744.8768
 
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Names and Synonyms

  • Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-3a-methyl-1-propylindeno(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

  • 139761-02-7

System Generated Number

  • 0139761027

Molecular Formulas

Molecular Formula

  • C22-H34-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C20-H18-O8
  • C22-H34-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34N2O2.C20H18O8/c1-4-6-7-9-17(8-5-2)24-21(25)26-18-11-10-16-14-20-22(3,12-13-23-20)19(16)15-18;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/h10-11,15,17,20,23H,4-9,12-14H2,1-3H3,(H,24,25);3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t17?,20-,22+;15-,16-/m11/s1

InChIKey

GVAIPTGXQOREQR-XJDCPIKYSA-N

Smiles

CCCCCC(CCC)NC(=O)Oc1ccc2c(c1)[C@@]3(CCN[C@@H]3C2)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 17mg/kg (17mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1429, 1992.