Structure of Tigecycline Impurity CAS 1422262-97-2

Iden­ti­fi­ca­tion

CAS Number

1422262-97-2

Name

Tige­cy­cline Impurity

Syn­onyms

(4R)-tige­cy­cline
(4R,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-{[N-(2-methyl-2-propanyl)glycyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [Ger­man] [ACD/IUPAC Name]
(4R,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-9-{[N-(2-methyl-2-propanyl)glycyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4R,4aS,5aR,12aS)-4,7-Bis(diméthylamino)-3,10,12,12a-tétrahydroxy-9-{[N-(2-méthyl-2-propanyl)glycyl]amino}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
1422262-97-2 [RN]
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)- [ACD/​Index Name]
Tige­cy­cline [INN] [USAN] [Wiki]
TIGE­CY­CLINE, (4R)-
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

SMILES

CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C

Std­InChI

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

Std­InChIKey

FPZL­L­R­FZJZRHSY-RXEYFD­PISA-N

Mol­e­c­u­lar Formula

C29H39N5O8

Mol­e­c­u­lar Weight

585.649

Prop­er­ties

Appear­ance

Yel­low solid

Safe­ty Data

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Tige­cy­cline Impu­ri­ty CAS 1422262-97-2

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

95% min

Shelf Life

2 years

Stor­age

Store at -20℃ sealed and away from light

Known Appli­ca­tion

Used as the Tige­cy­cline Impurity.

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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