TIGECYCLINE, (4R)-

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 Search

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

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	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 GMT 2023 , Edited by admin on Sat Dec 16 09:03:55 GMT 2023

PRIMARY

PUBCHEM

58747637

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

FDA UNII

U98SS1SU9R

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


					70JE2N95KR

TIGECYCLINE

PARENT -> DEGRADENT

Amount:

Related Record Type Details


					70JE2N95KR

TIGECYCLINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: