Oritavancin | CAS No. 171099-57-3

Oritavancin

Basic Information

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CAS Number

171099-57-3

Molecular Formula

C85H94Cl3N9O25

Molecular Weight

1748.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (2.0E-5 g/L) (25 ºC),

SMILES

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CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)OC9C(C(C(C(O9)CO)O)O)OC1CC(C(C(O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O

InChI

InChI=1S/C85H94Cl3N9O25/c1-36(2)24-52(90-6)77(107)96-68-70(103)43-17-22-56(50(87)26-43)117-58-28-45-29-59(74(58)122-84-75(72(105)71(104)60(35-98)119-84)121-63-33-85(5,76(106)38(4)116-63)91-34-39-10-12-40(13-11-39)41-14-19-46(86)20-15-41)118-57-23-18-44(27-51(57)88)73(120-62-9-7-8-37(3)115-62)69-82(112)95-67(83(113)114)49-30-47(99)31-55(101)64(49)48-25-42(16-21-54(48)100)65(79(109)97-69)94-80(110)66(45)93-78(108)53(32-61(89)102)92-81(68)111/h10-23,25-31,36-38,52-53,60,62-63,65-73,75-76,84,90-91,98-101,103-106H,7-9,24,32-35H2,1-6H3,(H2,89,102)(H,92,111)(H,93,108)(H,94,110)(H,95,112)(H,96,107)(H,97,109)(H,113,114)

InChIKey

KYCZKCKLNPGZJS-UHFFFAOYSA-N

LogP

6.197100000000011

Topological Polar Surface Area

514.73 Å²

Hydrogen Bond Donor/Acceptor

19 / 34

Complexity

3700

Synonyms & References

English

UNII-PUG62FRZ2E
LY333328
SCHEMBL9947049
Oritavancin(LY-333328)
LY 333328
C12034
NCGC00485478-02
ORITAVANCIN [VANDF]
DTXSID20897570
EX-A2372
ORITAVANCIN (MART.)
(4''R)-22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-N(SUP 3)''-(P-(P-CHLOROPHENYL)BENZYL)VANCOMYCIN
ORITAVANCIN [MART.]
oritavancinum
PUG62FRZ2E
(4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin
LY-333328
J01XA05
CHEMBL1688530
DTXCID701326917
(4''R)-22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N(3'')-((4'-chloro(1,1'-biphenyl)-4-yl)methyl)vancomycin
Oritavancin
(4''R)-22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-alpha-L-ARABINO-HEXOPYRANOSYL)-N(SUP 3)''-(P-(P-CHLOROPHENYL)BENZYL)VANCOMYCIN
Chlorobiphenyl-chloroeremomycin
ORITAVANCIN [MI]
NCGC00485478-01
AKOS032944863
VANCOMYCIN, 22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-N3''-((4'-CHLORO(1,1'-BIPHENYL)-4-YL)METHYL)-, (4''R)-
oritavancina
DB04911
Oritavancin; LY-333328

MDL Number

MFCD12756396

FAQ

What regulatory guidelines apply to Oritavancin (CAS: 171099-57-3)?

Oritavancin (CAS: 171099-57-3) is subject to regulatory guidelines under the REACH regulations in the EU. In the USA, it is regulated by the FDA for pharmaceutical use. The compound must comply with GHS (Globally Harmonized System) for classification and labeling. EPA regulations govern its environmental release and disposal.

Are there alternatives to Oritavancin (CAS: 171099-57-3) in synthesis?

There are several alternatives to Oritavancin in synthesis, including other beta-lactam antibiotics and non-betalactam agents like linezolid. Common substitutes include cephalosporins, and other glycopeptide antibiotics such as vancomycin. The choice of alternative depends on the specific application and pharmacokinetic properties required.

What is the market or research trend for Oritavancin (CAS: 171099-57-3)?

The market for Oritavancin is growing due to its broad-spectrum activity against Gram-positive bacteria. Research trends focus on its efficacy, safety, and potential for treating acute bacterial skin and skin structure infections. Studies are also investigating its use in combination therapies and long-term safety.

How should waste containing Oritavancin (CAS: 171099-57-3) be handled?

Waste containing Oritavancin (CAS: 171099-57-3) should be collected in a leak-proof container and stored away from flammable materials. Incineration is the preferred method for disposal, following local regulations. Non-incinerable waste should be managed by a professional hazardous waste disposal service to ensure compliance with environmental protection laws.