Basic information
- CAS
75846-14-9- Standard SMILES
COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N+](C)(C)CC2)CC[N+]1(C)C.[Br-].[Br-]- InChIKey
PLXGCAIEWRLPEO-YIECZYFASA-L- Molecular formula
- C40H48Br2N2O6
- Average molar mass
- 812.6 g/mol
- Monoisotopic mass
- 810.18791
Overview
isolated from Stephania epigeae Lu; RN given refers to dibromide
Names & identifiers
- Preferred name
- Dimethylcycleanine
- IUPAC
- (11R,26R)-4,5,19,20-tetramethoxy-10,10,25,25-tetramethyl-2,17-dioxa-10,25-diazoniaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene dibromide
- English name
- dimethylcycleanine
- Molecular formula
- C40H48Br2N2O6
- Molecular weight
- 812.62692
Names & synonyms
Dimethylcycleanine75846-14-9cycleanine dimethobromideRefChem:134327dimethyl cycleanine bromidedimethylcycleanine dibromideDimethylcycleanine bromideCYCLEANINIUM, 2,2'-DIMETHYL-, DIBROMIDEDTXSID10997230(11R,26R)-4,5,19,20-tetramethoxy-10,10,25,25-tetramethyl-2,17-dioxa-10,25-diazoniaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene;dibromide(1~1~R,5~1~R)-1~6~,1~7~,5~6~,5~7~-Tetramethoxy-1~2~,1~2~,5~2~,5~2~-tetramethyl-1~1~,1~2~,1~3~,1~4~,5~1~,5~2~,5~3~,5~4~-octahydro-4,8-dioxa-1(1,8),5(8,1)-diisoquinolina-3,7(1,4)-dibenzenacyclooctaphane-1~2~,5~2~-diium dibromide5,6,17,18-Tetramethoxy-1,1,13,13-tetramethyl-2,3,12a,13,14,15,24,24a-octahydro-1H,12H-8,11:20,23-dietheno[1,10]dioxacyclooctadecino[13,12,11-ij:4,3,2-i'j']diisoquinoline-1,13-diium dibromide
Database identifiers
- CAS
75846-14-9- PubChem CID
- 53368
- DTXSID
DTXSID10997230
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 974
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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