3',5'-dichloromethotrexate
(MCEHFIXEKNKSRW-LBPRGKRZSA-N)
Structure
- SMILES
- OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C
- Molecular Formula:
- C20H20Cl2N8O5
- Molecular Weight:
- 523.329
- Log P:
- 3.1285
- Hydrogen Bond Acceptor:
- 13
- Hydrogen Bond Donor:
- 5
- TPSA:
- 210.54
- CAS Number(s):
- 528-74-5
Synonym(s)
1.
3',5'-dichloromethotrexate
2.
3,5-dichloromethotrexate
3.
N-(3,5-dichloro-4-((2,4-diamino-6-pteridinyl)methyl)methyl)methylaminobenzoylglutamic acid
4.
NSC 29630
External Link(s)
| MeSH | C004763 |
| PubChem Compound | 10713 |
| CHEMBL | CHEMBL3137680 |
| ZINC | 2015690 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Cochlear Diseases | 2590860 | CTD | |
| 2 | Lung Neoplasms | 2590860 | CTD |
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