Tubocurarine

CAS Registry Number®

57-94-3

CAS Name

Tubocurarine

Molecular Formula

C37H41N2O6.ClH.Cl

Cite this Page

Tubocurarine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57-94-3 (retrieved 2024-11-23) (CAS RN: 57-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    270 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H/t28-,29+;;/m0../s1

InChIKey

InChIKey=GXFZCDMWGMFGFL-KKXMJGKMSA-N

SMILES

OC1=C2C=3[C@@](CC=4C=C(OC=5C=C6[C@](CC=7C=CC(O2)=CC7)(N(C)CCC6=CC5OC)[H])C(O)=CC4)([N+](C)(C)CCC3C=C1OC)[H].[Cl-].Cl

Canonical SMILES

[Cl-].Cl.OC1=CC=C2C=C1OC=3C=C4C(=CC3OC)CCN(C)C4CC5=CC=C(OC=6C(O)=C(OC)C=C7C6C(C2)[N+](C)(C)CC7)C=C5

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-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-, chloride, hydrochloride (1:1:1), (13aR,25aS)-
  • Tubocurarine, chloride, hydrochloride, (+)-
  • Tubocuraranium, 7′,12′-dihydroxy-6,6′-dimethoxy-2,2′,2′-trimethyl-, chloride, hydrochloride
  • 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-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-, chloride, hydrochloride, (13aR,25aS)-
  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, tubocuraranium deriv.

View All

Deleted or Replaced CAS Registry Numbers

303-11-7, 1406-69-5, 29132-50-1, 64780-74-1

CAS INSIGHTSTM
Hourglass and a clock