CAS Registry Number®
6989-98-6
CAS Name
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, hydrate (1:1:1:5), (13aR,25aS)-
Molecular Formula
C37H41N2O6.ClH.Cl.5H2O
Other Names and Identifiers
InChI
InChI=1S/C37H40N2O6.2ClH.5H2O/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;5*1H2/t28-,29+;;;;;;;/m0……./s1
InChIKey
InChIKey=WMIZITXEJNQAQK-GGDSLZADSA-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.O
Canonical SMILES
[Cl-].Cl.O.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, hydrate (1:1:1:5), (13aR,25aS)-
- Tubocuraranium, 7′,12′-dihydroxy-6,6′-dimethoxy-2,2′,2′-trimethyl-, chloride, hydrochloride, pentahydrate
- 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, pentahydrate, (13aR,25aS)-
- d-Tubocurarine dichloride pentahydrate
- Tubarine pentahydrate
- (+)-Tubocurarine chloride hydrochloride pentahydrate
Deleted or Replaced CAS Registry Numbers
1390-11-0, 41354-45-4
