9-(N-ACETYLAMINO)MINOCYCLINE

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

Structure Search

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 GMT 2023` Edited by `admin` on `Sat Dec 16 09:03:56 GMT 2023`
Record UNII	5DDZ7K1TCR
Record Status	`Validated (UNII)`
Record Version

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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 GMT 2023 , Edited by admin on Sat Dec 16 09:03:56 GMT 2023

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FDA UNII

5DDZ7K1TCR

Created by admin on Sat Dec 16 09:03:56 GMT 2023 , Edited by admin on Sat Dec 16 09:03:56 GMT 2023

PRIMARY

CAS

153621-85-3

Created by admin on Sat Dec 16 09:03:56 GMT 2023 , Edited by admin on Sat Dec 16 09:03:56 GMT 2023

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Related Record Type Details


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TIGECYCLINE

PARENT -> METABOLITE

Comments:

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).

Qualification:

PLASMA; URINE

Amount: