ORITAVANCIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C86H97Cl3N10O26
Molecular Weight	1793.101
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ORITAVANCIN

Structure Search

SMILES

[H][C@@]1(C[C@](C)(NCC2=CC=C(C=C2)C3=CC=C(Cl)C=C3)[C@@H](O)[C@H](C)O1)O[C@@H]4[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]4OC5=C6OC7=CC=C(C=C7Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]8([H])C(C=C5OC9=C(Cl)C=C(C=C9)[C@@H](O[C@@]%10([H])C[C@](C)(N)[C@@H](O)[C@H](C)O%10)[C@]%11([H])NC(=O)[C@]([H])(NC8=O)C%12=CC=C(O)C(=C%12)C%13=C(C=C(O)C=C%13O)[C@]([H])(NC%11=O)C(O)=O)=C6

InChI

InChIKey=VHFGEBVPHAGQPI-LXKZPTCJSA-N

InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C86H97Cl3N10O26
Molecular Weight	1793.101
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:20:11 UTC 2023` Edited by `admin` on `Fri Dec 15 18:20:11 UTC 2023`
Record UNII	PUG62FRZ2E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORITAVANCIN

Official Name

English

LY-333328

Code

English

Oritavancin [WHO-DD]

Common Name

English

(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

Common Name

English

oritavancin [INN]

Common Name

English

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)-

Systematic Name

English

ORITAVANCIN [MART.]

Common Name

English

ORITAVANCIN [VANDF]

Common Name

English

LY333328

Code

English

ORITAVANCIN [MI]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QJ01XA05

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

NDF-RT

N0000191281

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

WHO-ATC

J01XA05

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

Code System Code Type Description

NDF-RT

N0000191280

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

Lipoglycopeptides [Chemical/Ingredient]

EPA CompTox

DTXSID20897570

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

EVMPD

SUB28422

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

DRUG CENTRAL

4678

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

NDF-RT

N0000185506

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

Cytochrome P450 3A4 Inducers [MoA]

PUBCHEM

16136912

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

DAILYMED

PUG62FRZ2E

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

RXCUI

1547611

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

RxNorm

WIKIPEDIA

ORITAVANCIN

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

NDF-RT

N0000191267

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

Cytochrome P450 2D6 Inducers [MoA]

DRUG BANK

DB04911

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

INN

7979

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

NDF-RT

N0000185504

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

Cytochrome P450 2C9 Inhibitors [MoA]

NCI_THESAURUS

C174855

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

MERCK INDEX

m8233

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

Merck Index

CAS

171099-57-3

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL1688530

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

FDA UNII

PUG62FRZ2E

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

CHEBI

82699

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

NDF-RT

N0000182140

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

Cytochrome P450 2C19 Inhibitors [MoA]

SMS_ID

100000092219

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

LACTMED

Oritavancin

Created by admin on Fri Dec 15 18:20:11 UTC 2023 , Edited by admin on Fri Dec 15 18:20:11 UTC 2023

PRIMARY

Related Record Type Details


					65P5WPF3BJ

METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS

TARGET ORGANISM->INHIBITOR

Comments:

Efficacy and safety profiles of both dalbavancin and oritavancin were the same as vancomycin in the treatment of gram-positive bacterial infections in different clinical settings,

Amount:


					PUG62FRZ2E

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					VL1P93MKZN

ORITAVANCIN DIPHOSPHATE

SALT/SOLVATE -> PARENT


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					VL1P93MKZN

ORITAVANCIN DIPHOSPHATE

SALT/SOLVATE -> PARENT


					PUG62FRZ2E

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:

Related Record Type Details


					PUG62FRZ2E

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				IV ADMINISTRATION DOSE