TP-498

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 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-BNWPUYEGSA-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 `Sun Dec 18 15:32:45 UTC 2022` Edited by `admin` on `Sun Dec 18 15:32:45 UTC 2022`
Record UNII	4G8W1I61JX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TP-498

Code

English

ERAVACYCLINE, (R-N,N-DIMETHYL AMINE)-

Common Name

English

1-PYRROLIDINEACETAMIDE, N-((5AR,6AS,7R,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

N-((5AR,6AS,7R,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)-1-PYRROLIDINEACETAMIDE

Systematic Name

English

ERAVACYCLINE METABOLITE (TP-498)

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1431558-65-4

Created by admin on Sun Dec 18 15:32:45 UTC 2022 , Edited by admin on Sun Dec 18 15:32:45 UTC 2022

PRIMARY

FDA UNII

4G8W1I61JX

Created by admin on Sun Dec 18 15:32:45 UTC 2022 , Edited by admin on Sun Dec 18 15:32:45 UTC 2022

PRIMARY

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