Dezaguanine
Basic information
- CAS
41729-52-6- Standard SMILES
Nc1cc2[nH]cnc2c(=O)[nH]1- InChIKey
KXBCLNRMQPRVTP-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Overview
Dezaguanine is a small molecule drug. Dezaguanine has a monoisotopic molecular weight of 150.05 Da.
Names & identifiers
- Preferred name
- Dezaguanine
- IUPAC
- 6-amino-1,5-dihydroimidazo[4,5-c]pyridin-4-one
- English name
- Dezaguanine
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
Dezaguanine3-Deazaguanine41729-52-6DezaguaninaDezaguaninumNSC-2617266-Aminoimidazo(4,5-c)pyridin-4(5H)-oneCI-908deazaguanine4H-Imidazo(4,5-c)pyridin-4-one, 6-amino-1,5-dihydro-6-Amino-1,5-dihydro-4H-imidazo(4,5-c)pyridin-4-one9DRB973HUI
Show more names
CI 908NSC 2617266-amino-1H-imidazo[4,5-c]pyridin-4(5H)-one6-Amino-1,5-dihydro-imidazo[4,5-c]pyridin-4-one6-Amino-3,5-dihydro-4H-imidazo(4,5-C)pyridin-4-one
NSC261726DTXSID10194525PD-90695736-amino-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-oneRefChem:919971DTXCID50117016ICN 42216-amino-1,5-dihydroimidazo[4,5-c]pyridin-4-one
Database identifiers
- CAS
41729-52-6- PubChem CID
- 55710
- DTXSID
DTXSID10194525- ChEMBL
CHEMBL31882- UNII
- 9DRB973HUI
- Nikkaji
- J23.291B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 350 °C · >350 °C
- Boiling point
- 718 · 718.0±60.0 °C(Predicted)
- Density
- 1.513 · 1.513±0.06 g/cm3(Predicted)
- pka
- 10.37 · 10.37±0.40(Predicted)
- FDA UNII
- 9 DRB973HUI · 9DRB973HUI
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that are chemically similar to naturally occurring metabolites, but differ enough to interfere with normal metabolic pathways. (From AMA Drug Evaluations Annual, 1994, p2033)
Antimetabolites that are useful in cancer chemotherapy.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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