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Substance Name: Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 156693-32-2
InChIKey: IFBGFNCPZJWLQT-QNBGGDODSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N2-O2.C20-H18-O8

Molecular Weight

  • 702.7964
 
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Names and Synonyms

  • Carbamic acid, hexyl-, 2,3,4,5-tetrahydro-2-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 156693-32-2

System Generated Number

  • 0156693322

Molecular Formulas

Molecular Formula

  • C19-H28-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C19-H28-N2-O2
  • C20-H18-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C20H18O8.C19H28N2O2/c1-11-3-7-13(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;1-3-4-5-6-10-21(19(22)23)15-7-8-16-17(13-15)14-9-11-20(2)18(16)12-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,22,23)/t15-,16-;/m1./s1

InChIKey

IFBGFNCPZJWLQT-QNBGGDODSA-N

Smiles

CCCCCCN(c1ccc2c(c1)C3CCN(C2C3)C)C(=O)O.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 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 1996, 1994.