Basic information
- CAS
99999-42-5- Standard SMILES
CC(=O)[O-].COc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CC[NH+]1CCCC1- InChIKey
KAYSNYLXLZGXMV-UHFFFAOYSA-N- Molecular formula
- C19H22ClN5O5
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.1309465
Names & identifiers
- Preferred name
- Isoalloxazine, 7-chloro-8-methoxy-10-(2-pyrrolidinylethyl)-, acetate
- IUPAC
- 7-chloro-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione acetate
Names & synonyms
7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate99999-42-5ISOALLOXAZINE, 7-CHLORO-8-METHOXY-10-(2-PYRROLIDINYLETHYL)-, ACETATEDTXSID50244371RefChem:349540DTXCID501668627-chloro-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione acetate1-[2-(7-Chloro-8-methoxy-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]pyrrolidin-1-ium acetate7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate, ISOALLOXAZINE, 7-CHLORO-8-METHOXY-10-(2-PYRROLIDINYLETHYL)-, ACETATE, AC1L1NBX, LS-84308, 7-chloro-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione acetate, 99999-42-5
Database identifiers
- CAS
99999-42-5- PubChem CID
- 57597
- DTXSID
DTXSID50244371
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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