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Substance Name: 2H-Pyrido(4,3-b)carbazole-2-propanamine, 1,3,4,4a,5,6,11,11a-octahydro-N,N-dimethyl-, cis-, (E)-2-butenedioate (1:1)
RN: 112853-79-9
InChIKey: CXDDZZOCNPVIPQ-GVNJZHQWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N3.C4-H4-N4

Molecular Weight

  • 427.5417
 
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Names and Synonyms

  • 2H-Pyrido(4,3-b)carbazole-2-propanamine, 1,3,4,4a,5,6,11,11a-octahydro-N,N-dimethyl-, cis-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 112853-79-9

System Generated Number

  • 0112853799

Molecular Formulas

Molecular Formula

  • C20-H29-N3.C4-H4-N4

Molecular Formula Fragments

  • C20-H29-N3
  • C4-H4-N4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29N3.C4H4O4/c1-22(2)9-5-10-23-11-8-15-13-20-18(12-16(15)14-23)17-6-3-4-7-19(17)21-20;5-3(6)1-2-4(7)8/h3-4,6-7,15-16,21H,5,8-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,16-;/m1./s1

InChIKey

CXDDZZOCNPVIPQ-GVNJZHQWSA-N

Smiles

CN(C)CCCN1CC[C@@H]2Cc3c(c4ccccc4[nH]3)C[C@@H]2C1.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 335, 1987.