Account Ketotrexate sodium
- Catalog No. :
- ACKGZE681
- CAS No. :
- 52386-42-2
- Molecular Formula :
- C21H25N7Na2O6
- Molecular Weight :
- 517.45
IUPAC Name:sodium (4-((2-(2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl)amino)benzoyl)-L-glutamate
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Product Information
| Product Name | Ketotrexate sodium |
|---|---|
| IUPAC Name | sodium (4-((2-(2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl)amino)benzoyl)-L-glutamate |
| Molecular Formula | C21H25N7Na2O6 |
| Molecular Weight | 517.45 |
| SMILES | O=C([O-])CC[C@@H](C([O-])=O)NC(C1=CC=C(NCCC2N(C)C3=C(NC(N)=NC3=O)NC2)C=C1)=O.[Na+].[Na+] |
| InChI Key | PASPSZYIMAFFFK-HNYZGNTBSA-L |
| Synonym | Emofolin sodium;MeTHHF disodium;NSC 139490;NSC139490;NSC-139490 |
| CAS No. | 52386-42-2 |
Synthetic Route by SureRoute
2. ACKGZE681 Molecular Building Block Synthetic Route
(4-((2-(2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl)amino)benzoyl)-L-glutamic acid
(S)-2-(4-((((S)-2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid, calcium salt
(S)-2-(4-((((S)-2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid