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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28N4O7
Molecular Weight 472.491
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-AMINOMINOCYCLINE

SMILES

[H][C@@]12CC3=C(C=C(N)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=LRNDAPDRSWLZSE-IRDJJEOVSA-N
InChI=1S/C23H28N4O7/c1-26(2)12-7-11(24)17(28)14-9(12)5-8-6-10-16(27(3)4)19(30)15(22(25)33)21(32)23(10,34)20(31)13(8)18(14)29/h7-8,10,16,28,30-31,34H,5-6,24H2,1-4H3,(H2,25,33)/t8-,10-,16-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28N4O7
Molecular Weight 472.491
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 09:03:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:03:55 GMT 2023
Record UNII
W0778NOJ5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-AMINOMINOCYCLINE
Common Name English
(4S,4AS,5AR,12AS)-9-AMINO-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE (9-AMINOMINOCYCLINE)
Systematic Name English
TIGECYCLINE IMPURITY B [EP IMPURITY]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 9-AMINO-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
Code System Code Type Description
FDA UNII
W0778NOJ5H
Created by admin on Sat Dec 16 09:03:55 GMT 2023 , Edited by admin on Sat Dec 16 09:03:55 GMT 2023
PRIMARY
CAS
149934-19-0
Created by admin on Sat Dec 16 09:03:55 GMT 2023 , Edited by admin on Sat Dec 16 09:03:55 GMT 2023
PRIMARY
PUBCHEM
54676112
Created by admin on Sat Dec 16 09:03:55 GMT 2023 , Edited by admin on Sat Dec 16 09:03:55 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
Trace amount; demonstrated some antibacterial 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)
MINOR
PLASMA; URINE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP