Basic information
- CAS
25663-23-4- Standard SMILES
CC(c1cnc2nc(N)nc(N)c2n1)N(C)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1- InChIKey
PDZWMZKEQIIYKL-HQVZTVAUSA-N- Molecular formula
- C21H24N8O5
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.1869659
Names & identifiers
- Preferred name
- A-Denopterin
- IUPAC
- (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)ethyl-methylamino]benzoyl]amino]pentanedioic acid
- English name
- N-[4-[[1-(2,4-Diamino-6-pteridinyl)ethyl]methylamino]benzoyl]-L-glutamic acid
- Molecular formula
- C21H24N8O5
- Molecular weight
- 468.47
Names & synonyms
A-DenopterinAdenopterin25663-23-4L-Glutamic acid, N-(4-((1-(2,4-diamino-6-pteridinyl)ethyl)methylamino)benzoyl)-(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)ethyl-methylamino]benzoyl]amino]pentanedioic acid66YR461LC9751-44-0UNII-66YR461LC9ADENOPTERINSC 1071344-Amino-9,10-dimethyl pteroylglutamic acidA-DENOPTERIN [MI]
Show more names
N-[4-[[1-(2,4-Diamino-6-pteridinyl)ethyl]methylamino]benzoyl]-L-glutamic acid
CHEMBL455689orb1698743SCHEMBL19209757SCHEMBL29499685DTXSID10948545AKOS040750139Glutamic acid, N-(p-((1-(2,4-diamino-6-pteridinyl)ethyl)methylamino)benzoyl)-, L-T29653
Database identifiers
- CAS
25663-23-4、751-44-0- PubChem CID
- 97228
- DTXSID
DTXSID10948545- ChEMBL
CHEMBL455689- UNII
- 66YR461LC9
- Nikkaji
- J17.044E
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 734
Physicochemical properties
- FDA UNII
- 66 YR461LC9 · 66YR461LC9
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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