Account Dalbavancin hydrochloride
- Catalog No. :
- ACYJFW505
- CAS No. :
- 2227366-51-8
- Molecular Formula :
- C88H101Cl3N10O28
- Molecular Weight :
- 1853.18
IUPAC Name:(2S,3S,4R,5R,6S)-6-(((3S,14R,17R,33R,34S,37S,47R,49aR)-5,30-dichloro-37-((3-(dimethylamino)propyl)carbamoyl)-6,11,33,39,43-pentahydroxy-14-(methylamino)-2,15,35,49,50,58-hexaoxo-41-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,15,16,17,18,34,35,36,37,47,48,49,49a-tetradecahydro-1H,14H,33H-3,17:34,47-bis(epiminomethano)-10,13:19,22:29,32-trietheno-4,8:24,27:42,46-tri(metheno)benzo[14,15][1]oxa[7,17]diazacyclotetracosino[4,5-d][1,14]dioxa[6,21]diazacycloheptacosin-55-yl)oxy)-3,4-dihydroxy-5-(10-methylundecanamido)tetrahydro-2H-pyran-2-carboxylic acid hydrochloride
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Product Information
| Product Name | Dalbavancin hydrochloride |
|---|---|
| IUPAC Name | (2S,3S,4R,5R,6S)-6-(((3S,14R,17R,33R,34S,37S,47R,49aR)-5,30-dichloro-37-((3-(dimethylamino)propyl)carbamoyl)-6,11,33,39,43-pentahydroxy-14-(methylamino)-2,15,35,49,50,58-hexaoxo-41-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,15,16,17,18,34,35,36,37,47,48,49,49a-tetradecahydro-1H,14H,33H-3,17:34,47-bis(epiminomethano)-10,13:19,22:29,32-trietheno-4,8:24,27:42,46-tri(metheno)benzo[14,15][1]oxa[7,17]diazacyclotetracosino[4,5-d][1,14]dioxa[6,21]diazacycloheptacosin-55-yl)oxy)-3,4-dihydroxy-5-(10-methylundecanamido)tetrahydro-2H-pyran-2-carboxylic acid hydrochloride |
| Molecular Formula | C88H101Cl3N10O28 |
| Molecular Weight | 1853.18 |
| SMILES | CN[C@H]1C(=O)N[C@@H]2CC3=CC=C(C=C3)OC3=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4NC(=O)CCCCCCCCC(C)C)C4=CC(=C3)[C@@H](NC(=O)[C@@H](NC2=O)C2=C(Cl)C(O)=CC(=C2)OC2=CC=C1C=C2O)C(=O)N[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCN(C)C)C2=CC(O)=CC(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)=C2C2=C(O)C=CC1=C2)[C@H](O)C1=CC=C(O4)C(Cl)=C1.Cl |
| InChI Key | VVZGNSSWZDAHSJ-AXKGEONOSA-N |
| Synonym | DTXSID001027643 |
| CAS No. | 2227366-51-8 |
| PubChem CID | 165363511 |
Synthetic Route by SureRoute
2. ACYJFW505 Molecular Building Block Synthetic Route
Dalbavancin
6-((5,31-dichloro-15-(dimethylamino)-38-((3-(dimethylamino)propyl)carbamoyl)-6,11,34,40,44-pentahydroxy-2,16,36,50,51,59-hexaoxo-42-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-1H,15H,34H-3,18:35,48-bis(epiminomethano)-20,23:30,33-dietheno-4,8:10,14:25,28:43,47-tetra(metheno)benzo[14,15][1]oxa[7,17]diazacyclotetracosino[4,5-d][1,14]dioxa[6,22]diazacyclooctacosin-56-yl)oxy)-3,4-dihydroxy-5-(9-methyldecanamido)tetrahydro-2H-pyran-2-carboxylic acid hydrochloride
Mideplanin