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Oritavancin
Oritavancin / CAS : 171099-57-3
| Appearance | White or off white crystalline powder | UN | - |
| HS | 29329990 | DG Class | - |
| Synonyms | Chlorobiphenyl-Chloroeremomycin; LY333328; Oritavancin (LY333328); (4R)-22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-a-L-Arabinohexopyranosyl)-N3-(p-(p-Chlorophenyl)Benzyl)Vancomycin;(4''R)-22-Chemicalbooko-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabino-Hexopyranosyl)-N3''-[(4'-Chloro[1,1'-Biphenyl]-4-yl)Methyl]Vancomycin; Orita-Vancin | ||
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RFQ
Properties
Summary
Formula
C86H97Cl3N10O26
Molecular Mass
1793.10000
Exact Mass
1790.56000
PSA
560.98000
Logp
8.57000
IUPAC
(1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
SMILES
C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Antibiotics
Chemical and Physical Properties
Density
1.59±0.1 g/cm3(Predicted)
Appearance
White or off white crystalline powder
Acidity and Basicity
acidness
Export information
HS Code
29329990
Export Rebate
13%
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