TP-034

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22FN3O7
Molecular Weight	447.4137
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC3=C(C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]4([H])C2)C(O)=C(N)C=C3F

InChI

InChIKey=SQYLTQVZEBFMMP-AYYJOUFOSA-N

InChI=1S/C21H22FN3O7/c1-25(2)14-8-4-6-3-7-9(22)5-10(23)15(26)12(7)16(27)11(6)18(29)21(8,32)19(30)13(17(14)28)20(24)31/h5-6,8,14,26,28-29,32H,3-4,23H2,1-2H3,(H2,24,31)/t6-,8-,14-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22FN3O7
Molecular Weight	447.4137
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 14:32:23 GMT 2023` Edited by `admin` on `Sat Dec 16 14:32:23 GMT 2023`
Record UNII	2JY8KE87W0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TP-034

Common Name

English

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

Systematic Name

English

ERAVACYCLINE METABOLITE (TP-034)

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

2JY8KE87W0

Created by admin on Sat Dec 16 14:32:23 GMT 2023 , Edited by admin on Sat Dec 16 14:32:23 GMT 2023

PRIMARY

CAS

1207283-60-0

Created by admin on Sat Dec 16 14:32:23 GMT 2023 , Edited by admin on Sat Dec 16 14:32:23 GMT 2023

PRIMARY

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