Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, monohydrochloride
Basic information
- CAS
93963-15-6- Standard SMILES
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(CO)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CCN1C- InChIKey
RPJLOBDXSJNRGO-URLMMPGGSA-N- Molecular formula
- C36H38N2O6
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.27298694
Names & identifiers
- Preferred name
- Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, monohydrochloride
- IUPAC
- (1S,16R)-10-(hydroxymethyl)-25-methoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol
Names & synonyms
EINECS 300-755-9Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-, monohydrochloride93963-15-6DTXSID80239957RefChem:192459DTXCID30162448300-755-9RPJLOBDXSJNRGO-URLMMPGGSA-N
Database identifiers
- CAS
93963-15-6- PubChem CID
- 44153109
- EC Number
- 300-755-9
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 948
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Compound notes
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