CAS 6989-98-6: 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)-
Description:The chemical substance known as 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, with the CAS number 6989-98-6, is a complex organic compound characterized by its intricate polycyclic structure, which includes multiple fused rings and functional groups. This substance features a pyridoisoquinoline framework, indicative of its potential biological activity. The presence of methoxy and hydroxy groups suggests it may exhibit solubility in polar solvents and could participate in hydrogen bonding. The compound is typically encountered in a hydrated form, which may influence its stability and reactivity. As a chloride salt, it may exhibit ionic characteristics, affecting its interaction with biological systems. Its stereochemistry, denoted by the (13aR,25aS) configuration, implies specific spatial arrangements that could be crucial for its pharmacological properties. Overall, this compound's unique structural features and functional groups may contribute to its potential applications in medicinal chemistry and pharmacology, although specific biological activities would require further investigation.
Formula:C37H41N2O6·ClH·Cl·5H2O
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
InChI key:InChIKey=WMIZITXEJNQAQK-GGDSLZADSA-N
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
- Synonyms:
- (+)-Tubocurarine Dichloride Pentahydrate
- (+)-Tubocurarine 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)-
- 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)-
- 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)-
- 7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium Chloride Hydrochloride Pentahydrate
- Tubarine pentahydrate
- Tubocuraranium, 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyl-, chloride, hydrochloride, pentahydrate
- Tubocuraranium, 7′,12′-dihydroxy-6,6′-dimethoxy-2,2′,2′-trimethyl-, chloride, hydrochloride, pentahydrate
- Tubocurarine Chloride (anhydrous)
- See more synonyms
- d-Tubocurarine dichloride pentahydrate
- 7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium chloride hydrochloride hydrate (1:1:1:5)