tigecycline (Q420595)

Tigecycline (English)

DrugBank

17 November 2015

Tigecycline structure.svg
620 × 210; 24 KB

1 reference

German Wikipedia

mass

585.2799 dalton

1 reference

TIGECYCLINE (English)

3 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₉N₅O₈

1 reference

Tigecycline (English)

publication date

17 November 2015

canonical SMILES

CC(C)(C)NCC(=O)NC1=CC(=C2C(=C1O)C(=O)C3=C(C4(C(CC3C2)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C

1 reference

tigecycline (English)

19 November 2016

isomeric SMILES

CC(C)(C)NCC(=O)NC1=CC(=C2C(=C1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C

1 reference

tigecycline (English)

parenteral route of administration

19 November 2016

defined daily dose

0.1 gram

route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=J01AA12

1 reference

14 February 2018

medical condition treated

pneumonia

1 reference

Drug Indications Extracted from FAERS

2 October 2018

8 March 2006

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/70JE2N95KR

2 November 2018

reference URL

http://www.accessdata.fda.gov/drugsatfda_docs/nda/2013/021821Orig1s031.pdf

significant drug interaction

rac-warfarin

side effect

retroperitoneal hemorrhage

1 reference

sourcing circumstances

probably

A reference set of clinically relevant adverse drug-drug interactions

pregnancy category

Australian pregnancy category D

1 reference

English Wikipedia

US pregnancy category D

1 reference

LiverTox likelihood score

English Wikipedia

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Tigecycline

last update

23 January 2019

subject has role

protein synthesis inhibitor

1 reference

5 March 2018

1 reference

Medical Subject Headings

15 March 2018

1 reference

‎WHO Aware Classification

reserve

1 reference

2023 ‎AWaRe classification‎

Commons category

Tigecycline

0 references

Identifiers

InChI

InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

1 reference

tigecycline (English)

19 November 2016

2 references

tigecycline (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

220620-09-7

2 references

https://commonchemistry.cas.org/detail?cas_rn=220620-09-7

tigecycline (English)

19 November 2016

7 April 2021

1 reference

Tigecycline (English)

19 November 2016

PubChem CID

5282044

1 reference

German Wikipedia

Reaxys registry number

8379453

1 reference

tigecycline (English)

3 October 2016

ChEBI ID

149836

mapping relation type

2 references

TIGECYCLINE (English)

matched by identifier from

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

1 reference

matched by identifier from

TIGECYCLINE (English)

19 November 2016

2 references

inferred from InChIKey

HSDB ID

8172

1 reference

Hazardous Substances Data Bank

28 October 2019

Tigecycline (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

DSSTOX compound identifier

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.211.439

27 December 2018

ECHA Substance Infocard ID

4S,4aS,5aR,12aS)-9- [2-(tert-butylamino)acetamido] -4,7-bis (dimethylamino) -1,4,4a,5,5a,6,11, 12a-octahydro-3,10,12, 2a-tetrahydroxy-1, 11-dioxo-2-naphthacenecarboxamide (hydrochloride) (English)

quotation

CAS no.: 220620-09-7 (English)

100.211.439

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.211.439

27 December 2018

4S,4aS,5aR,12aS)-9- [2-(tert-butylamino)acetamido] -4,7-bis (dimethylamino) -1,4,4a,5,5a,6,11, 12a-octahydro-3,10,12, 2a-tetrahydroxy-1, 11-dioxo-2-naphthacenecarboxamide (hydrochloride) (English)

quotation

CAS no.: 220620-09-7 (English)

1 reference