ERAVACYCLINE DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31FN4O8.2ClH
Molecular Weight	631.477
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ERAVACYCLINE DIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.[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=JYCNMRVZELJVAW-RZVFYPHASA-N

InChI=1S/C27H31FN4O8.2ClH/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);2*1H/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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:00:04 UTC 2023` Edited by `admin` on `Sat Dec 16 03:00:04 UTC 2023`
Record UNII	WK1NMH89VJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERAVACYCLINE DIHYDROCHLORIDE

Official Name

English

Eravacycline dihydrochloride [WHO-DD]

Common Name

English

TP-434-046

Code

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 dihydrochloride

Common Name

English

ERAVACYCLINE DIHYDROCHLORIDE [ORANGE BOOK]

Common Name

English

XERAVA

Brand Name

English

TP434046

Code

English

ERAVACYCLINE DIHYDROCHLORIDE [MI]

Common 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)-, HYDROCHLORIDE (1:2)

Common Name

English

ERAVACYCLINE DIHYDROCHLORIDE [USAN]

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL1951095