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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H39N5O8
Molecular Weight 585.6487
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIGECYCLINE, (4R)-

SMILES

[H][C@@]12CC3=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@]4([H])C2)N(C)C

InChI

InChIKey=FPZLLRFZJZRHSY-RXEYFDPISA-N
InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H39N5O8
Molecular Weight 585.6487
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:03:55 UTC 2023
Edited
by admin
on Sat Dec 16 09:03:55 UTC 2023
Record UNII
U98SS1SU9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIGECYCLINE, (4R)-
Common Name English
TIGECYCLINE IMPURITY A [EP IMPURITY]
Common Name English
(4R,4AS,5AR,12AS)-9-(2-(TERT-BUTYLAMINO)ACETAMIDO)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Systematic Name English
2-NAPHTHACENECARBOXAMIDE, 4,7-BIS(DIMETHYLAMINO)-9-((2-((1,1-DIMETHYLETHYL)AMINO)ACETYL)AMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, (4R,4AS,5AR,12AS)-
Systematic Name English
Code System Code Type Description
CAS
1422262-97-2
Created by admin on Sat Dec 16 09:03:55 UTC 2023 , Edited by admin on Sat Dec 16 09:03:55 UTC 2023
PRIMARY
PUBCHEM
58747637
Created by admin on Sat Dec 16 09:03:55 UTC 2023 , Edited by admin on Sat Dec 16 09:03:55 UTC 2023
PRIMARY
FDA UNII
U98SS1SU9R
Created by admin on Sat Dec 16 09:03:55 UTC 2023 , Edited by admin on Sat Dec 16 09:03:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> DEGRADENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP