ERAVACYCLINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31FN4O8
Molecular Weight	558.5554
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ERAVACYCLINE

Structure Search

SMILES

[H][C@@]12CC3=C(F)C=C(NC(=O)CN4CCCC4)C(O)=C3C(=O)C1=C(O)[C@]5(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]5([H])C2

InChI

InChIKey=HLFSMUUOKPBTSM-ISIOAQNYSA-N

InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H31FN4O8
Molecular Weight	558.5554
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:00:06 UTC 2023` Edited by `admin` on `Sat Dec 16 03:00:06 UTC 2023`
Record UNII	07896928ZC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ERAVACYCLINE

Official Name

English

1-PYRROLIDINEACETAMIDE, N-((5AR,6AS,7S,10AS)-9-(AMINOCARBONYL)-7-(DIMETHYLAMINO)-4-FLUORO-5,5A,6,6A,7,10,10A,12-OCTAHYDRO-1,8,10A,11-TETRAHYDROXY-10,12-DIOXO-2-NAPHTHACENYL)-

Systematic Name

English

ERAVACYCLINE [USAN]

Common Name

English

Eravacycline [WHO-DD]

Common Name

English

TP-434

Code

English

eravacycline [INN]

Common Name

English

ERAVACYCLINE [MI]

Common Name

English

4S,4AS,5AR,12AS)-4-(DIMETHYLAMINO)-7-FLUORO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-9-((PYRROLIDIN-1-YLACETYL)AMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE

Systematic Name

English

(4S,4AS,5AR,12AS)-4-(DIMETHYLAMINO)-7-FLUORO-3,10,12,12ATETRAHYDROXY-1,11-DIOXO-9-(2-(PYRROLIDIN-1-YL)ACETAMIDO)-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE

Systematic Name

English

Classification Tree Code System Code

WHO-ATC

J01AA13

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

Code System Code Type Description

DRUG BANK

DB12329

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

ChEMBL

CHEMBL1951095

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

LACTMED

Eravacycline

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

EPA CompTox

DTXSID401026285

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

RXCUI

2055906

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

CAS

1207283-85-9

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

MERCK INDEX

m12118

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

NCI_THESAURUS

C171907

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

WIKIPEDIA

Eravacycline

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

USAN

ZZ-69

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

INN

9702

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

FDA UNII

07896928ZC

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

SMS_ID

100000174218

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

DAILYMED

07896928ZC

Created by admin on Sat Dec 16 03:00:07 UTC 2023 , Edited by admin on Sat Dec 16 03:00:07 UTC 2023

PRIMARY

Related Record Type Details


					WK1NMH89VJ

ERAVACYCLINE DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT


					15E04LZ9CT

ENTEROCOCCUS FAECALIS

TARGET ORGANISM->INHIBITOR

Qualification:

MIC90

Amount:


					9971WH3C6O

FETAL HEPATIC FLAVIN-CONTAINING MONOOXYGENASE 3 (HUMAN)

METABOLIC ENZYME -> SUBSTRATE


					IHD25862WV

FETAL HEPATIC FLAVIN-CONTAINING MONOOXYGENASE 1 (HUMAN)

METABOLIC ENZYME -> SUBSTRATE


					TBC6BXM04K

STREPTOCOCCUS ANGINOSUS

TARGET ORGANISM->INHIBITOR

Amount:


					07896928ZC

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					514B9K0L10

ESCHERICHIA COLI

TARGET ORGANISM->INHIBITOR

Qualification:

MIC90

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					6ZJT0Z4FA9

DIMETHYLANILINE MONOOXYGENASE (N-OXIDE-FORMING) 5

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Protein binding of eravacycline to human plasma proteins increases with increasing plasma concentrations, with 79% to 90% (bound) at plasma concentrations ranging from 100 to 10,000 ng/mL.

Interaction Type:

BINDING

Amount:


					07896928ZC

EXCRETED UNCHANGED

Qualification:

URINE

Amount:

Related Record Type Details


					4G8W1I61JX

TP-498

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR


					2JY8KE87W0

TP-034

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR


					8CP1B1XJ46

TP-6208

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Related Record Type Details


					07896928ZC

ACTIVE MOIETY

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

Tmax	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC