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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30N4O8
Molecular Weight 514.5277
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(N-ACETYLAMINO)MINOCYCLINE

SMILES

[H][C@@]12CC3=C(C=C(NC(C)=O)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=JVSAGPUAMKRFME-LTIXMIGUSA-N
InChI=1S/C25H30N4O8/c1-9(30)27-13-8-14(28(2)3)11-6-10-7-12-18(29(4)5)21(33)17(24(26)36)23(35)25(12,37)22(34)15(10)20(32)16(11)19(13)31/h8,10,12,18,31,33-34,37H,6-7H2,1-5H3,(H2,26,36)(H,27,30)/t10-,12-,18-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H30N4O8
Molecular Weight 514.5277
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 09:03:56 UTC 2023
Edited
by admin
on Sat Dec 16 09:03:56 UTC 2023
Record UNII
5DDZ7K1TCR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(N-ACETYLAMINO)MINOCYCLINE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 9-(ACETYLAMINO)-4,7-BIS(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, (4S,4AS,5AR,12AS)-
Systematic Name English
TIGECYCLINE (M5)
Common Name English
TIGECYCLINE (M6)
Common Name English
Code System Code Type Description
PUBCHEM
89490277
Created by admin on Sat Dec 16 09:03:56 UTC 2023 , Edited by admin on Sat Dec 16 09:03:56 UTC 2023
PRIMARY
FDA UNII
5DDZ7K1TCR
Created by admin on Sat Dec 16 09:03:56 UTC 2023 , Edited by admin on Sat Dec 16 09:03:56 UTC 2023
PRIMARY
CAS
153621-85-3
Created by admin on Sat Dec 16 09:03:56 UTC 2023 , Edited by admin on Sat Dec 16 09:03:56 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Although both M5 and M6 demonstrated some antibac- terial activity in vitro, their activities were generally less than that of tigecycline and were effective against a narrower range of infectious organisms (data on file at Wyeth Research).
PLASMA; URINE