Account Ambamustine
- Catalog No. :
- ACOMLI463
- CAS No. :
- 85754-59-2
- Molecular Formula :
- C29H39Cl2FN4O4S
- Molecular Weight :
- 629.63
IUPAC Name:ethyl ((S)-2-((S)-2-amino-3-(4-fluorophenyl)propanamido)-3-(3-(bis(2-chloroethyl)amino)phenyl)propanoyl)-L-methioninate
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Product Information
| Product Name | Ambamustine |
|---|---|
| IUPAC Name | ethyl ((S)-2-((S)-2-amino-3-(4-fluorophenyl)propanamido)-3-(3-(bis(2-chloroethyl)amino)phenyl)propanoyl)-L-methioninate |
| Molecular Formula | C29H39Cl2FN4O4S |
| Molecular Weight | 629.63 |
| SMILES | ClCCN(C1=CC(C[C@H](NC([C@@H](N)CC2=CC=C(C=C2)F)=O)C(N[C@@H](CCSC)C(OCC)=O)=O)=CC=C1)CCCl |
| InChI Key | XPGDODOEEWLHOI-GSDHBNRESA-N |
| Synonym | Ambamustine [inn];N-(3-(m-(Bis(2-chloroethyl)amino)phenyl)-N-(3-(p-fluorophenyl)-L-alanyl)-L-alanyl)-L-methionine, ethyl ester;Unii-ib1H345F24;Ambamustine;L-Methionine, 4-fluoro-L-phenylalanyl-3-[bis(2-chloroethyl)amino]-L-phenylalanyl-, ethyl ester;Ambamustine USP/EP/BP |
| CAS No. | 85754-59-2 |
Synthetic Route by SureRoute
2. ACOMLI463 Molecular Building Block Synthetic Route
Ambamustine HCl
Ethyl (S)-2-((S)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanamido)-3-(4-fluorophenyl)propanoate
Ethyl (S)-2-((S)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanamido)-3-(4-fluorophenyl)propanoate hydrochloride