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Substance Name: 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxan-2-yl)ethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt)
RN: 130857-09-9
InChIKey: DQEIFIWXFKBCKS-ODCFXONUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N-O3.C4-H4-O4

Molecular Weight

  • 447.5247
 
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Names and Synonyms

  • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxan-2-yl)ethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 130857-09-9

System Generated Number

  • 0130857099

Molecular Formulas

Molecular Formula

  • C20-H29-N-O3.C4-H4-O4

Molecular Formula Fragments

  • C20-H29-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29NO3.C4H4O4/c1-14-18-12-15-4-5-16(22)13-17(15)20(14,2)7-9-21(18)8-6-19-23-10-3-11-24-19;5-3(6)1-2-4(7)8/h4-5,13-14,18-19,22H,3,6-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,18-,20+;/m0./s1

InChIKey

DQEIFIWXFKBCKS-ODCFXONUSA-N

Smiles

C[C@H]1[C@@H]2Cc3ccc(cc3[C@@]1(CCN2CCC4OCCCO4)C)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1828, 1990.