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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 of TP-034

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 UTC 2023
Edited
by admin
on Sat Dec 16 14:32:23 UTC 2023
Record UNII
2JY8KE87W0
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 14:32:23 UTC 2023
PRIMARY
CAS
1207283-60-0
Created by admin on Sat Dec 16 14:32:23 UTC 2023 , Edited by admin on Sat Dec 16 14:32:23 UTC 2023
PRIMARY
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