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Tigecycline hydrate

CAT: 1459-CS-O-53754Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-53754Size:1 Each
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Description
Tigecycline hydrate is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Tigecycline. The product is supplied by Clearsynth under CAT No. CS-O-53754. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1229002-07-6
Synonyms
Tigecycline hydrate
Molecular Formula
C 29 H 41 N 5 O 9
Molecular Weight
603.66
Additionnal Information
Tigecycline hydrate is supplied with detailed characterization data compliant with regulatory guideline. Tigecycline hydrate can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Tigecycline.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Tigecycline hydrate
CAS Number1229002-07-6
PubChem CID71312020
IUPAC Name(4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate
Molecular FormulaC29H41N5O9
Molecular Weight603.7
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1240
SMILES
CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C.O
InChI
InChI=1S/C29H39N5O8.H2O/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;/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35);1H2/t12-,14-,21-,29-;/m0./s1
InChIKey
SUGZODNQTKYJAW-KXLOKULZSA-N
Chemical Structure
2D Structure
2D structure of Tigecycline hydrate
CAS: 1229002-07-6
CID: 71312020
Formula: C29H41N5O9
MW: 603.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass603.29042790
Monoisotopic Mass603.29042790
Topological Polar Surface Area207 Ų
Heavy Atom Count43
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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