Metocurine iodide

CAS Registry Number®

7601-55-0

CAS Name

Metocurine iodide

Molecular Formula

C40H48N2O6.2I

Cite this Page

Metocurine iodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7601-55-0 (retrieved 2024-11-22) (CAS RN: 7601-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    257-267 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1

InChIKey

InChIKey=DIGFQJFCDPKEPF-OIUSMDOTSA-L

SMILES

O(C)C1=C2C=3[C@@](CC=4C=C(OC=5C=C6[C@](CC=7C=CC(O2)=CC7)([N+](C)(C)CCC6=CC5OC)[H])C(OC)=CC4)([N+](C)(C)CCC3C=C1OC)[H].[I-]

Canonical SMILES

[I-].O1C2=CC(=CC=C2OC)CC3C4=C(OC5=CC=C(C=C5)CC6C7=CC1=C(OC)C=C7CC[N+]6(C)C)C(OC)=C(OC)C=C4CC[N+]3(C)C

Other Names for this Substance

  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, iodide (1:2), (13aR,25aS)-
  • Tubocuraranium, 6,6′,7′,12′-tetramethoxy-2,2,2′,2′-tetramethyl-, diiodide
  • Tubocurarine, O,O′-dimethyl-, diiodide
  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, diiodide, (13aR,25aS)-
  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, diiodide, [13aR-(13aR*,25aS*)]-

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