Basic information
- CAS
41349-35-3- Standard SMILES
COS(=O)(=O)[O-].COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5- InChIKey
RQQPNGIYTFBRBS-UHFFFAOYSA-M- Molecular formula
- C22H21NO8S
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.0987878
Names & identifiers
- Preferred name
- Nitidine methyl sulfate
- IUPAC
- 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;methyl sulfate
Names & synonyms
Nitidine methyl sulfate41349-35-37S3U26FNX3(1,3)-Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, methylsulfateNSC-160842(1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfateNitidine methosulfateNSC 1608422,3-Dimethoxy-12-methyl-(1,3)-benzodioxolo(5,6-c)phenanthridinium methylsulfateUNII-7S3U26FNX3DTXSID50194302NSC160842
Show more names
[1,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfate1,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, methyl sulfateWLN: T G6 D6 C665 EK SO UO THJ E1 IO1 JO1 &WSO&O12,3-DIMETHOXY-12-METHYL(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM METHYL SULFATE2,3-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium methyl sulfate(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-, METHYL SULFATE (1:1)
Database identifiers
- CAS
41349-35-3- PubChem CID
- 38846
- DTXSID
DTXSID50194302- UNII
- 7S3U26FNX3
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…