dalbavancin (Q5210237)

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antibiotic used to treat MRSA

MDL-64397
A-A-1
VERO001
BI-397
5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O [2-deoxy-2-[(10-methylundecanoyl)amino]-β-D-glucopyranuronosyl]-38-[[3-(dimethylamino)propyl] carbamoyl]-42-O-α-D-mannopyranosyl-15-N-methyl(ristomycin A aglycone) hydrochloride
dalbavancin B0
Zeven
BI 397
BI397

Language	Label	Description	Also known as
English	dalbavancin	antibiotic used to treat MRSA	MDL-64397 A-A-1 VERO001 BI-397 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O [2-deoxy-2-[(10-methylundecanoyl)amino]-β-D-glucopyranuronosyl]-38-[[3-(dimethylamino)propyl] carbamoyl]-42-O-α-D-mannopyranosyl-15-N-methyl(ristomycin A aglycone) hydrochloride dalbavancin B0 Zeven BI 397 BI397

Statements

type of chemical entity

0 references

lipoglycopeptides

1 reference

27 February 2018

0 references

1 reference

Dalbavancin (English)

language of work or name

publication date

17 November 2015

chemical structure

Dalbavancin B0.svg
512 × 346; 34 KB

0 references

1,814.609 dalton

1 reference

language of work or name

Dalvance (English)

18 November 2016

chemical formula

C₈₈H₁₀₀Cl₂N₁₀O₂₈

1 reference

language of work or name

Dalvance (English)

18 November 2016

canonical SMILES

CC(C)CCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=CC(=CC(=C7C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C9C1=CC(=CC(=C1Cl)O)OC1=C(C=CC(=C1)C(C(=O)NC(CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O

1 reference

language of work or name

Dalvance (English)

18 November 2016

isomeric SMILES

CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1Cl)O)OC1=C(C=CC(=C1)[C@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O

1 reference

language of work or name

Dalvance (English)

18 November 2016

defined daily dose

1.5 gram

route of administration

parenteral route of administration

1 reference

https://www.whocc.no/atc_ddd_index/?code=J01XA04

active ingredient in

1 reference

15 February 2018

World Health Organisation international non-proprietary name

dalbavancin (English)

1 reference

language of work or name

dalbavancin (English)

9 October 2016

medical condition treated

1 reference

Drug Indications Extracted from FAERS

2 October 2018

subject has role

protein synthesis inhibitor

1 reference

5 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

1 reference

‎WHO Aware Classification

1 reference

2023 ‎AWaRe classification‎

Identifiers

InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1

1 reference

based on heuristic

inferred from SMILES

KGPGQDLTDHGEGT-SZUNQUCBSA-N

2 references

language of work or name

Dalvance (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

3 references

language of work or name

dalbavancin (English)

9 October 2016

Global Substance Registration System

15 February 2018

KGPGQDLTDHGEGT-SZUNQUCBSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=171500-79-1

1 reference

language of work or name

17290939 (English)

18 November 2016

2 references

language of work or name

Dalvance (English)

18 November 2016

matched by identifier from

KGPGQDLTDHGEGT-SZUNQUCBSA-N

Reaxys registry number

9839185

1 reference

language of work or name

dalbavancin (English)

9 October 2016

mapping relation type

2 references

language of work or name

DALBAVANCIN (English)

18 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1

1 reference

language of work or name

DALBAVANCIN (English)

18 November 2016

UniChem compound ID

1 reference

DSSTox substance ID

0 references

DSSTOX compound identifier

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ECHA Substance Infocard ID

0 references

1 reference

language of work or name

Dalbavancin (English)

publication date

17 November 2015

Guide to Pharmacology Ligand ID

0 references

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

Global Substance Registration System

15 February 2018

0 references

2 references

language of work or name

DALBAVANCIN (English)

19 January 2016

Global Substance Registration System

15 February 2018

1 reference

matched by identifier from

KGPGQDLTDHGEGT-SZUNQUCBSA-N

MedlinePlus drug identifier

0 references

1 reference

language of work or name

DALBAVANCIN (English)

19 January 2016

Probes And Drugs ID

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1 reference

1 reference

language of work or name

dalbavancin (English)

9 October 2016

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Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

WikiProjectMed ID

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Sitelinks

Wikipedia(13 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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