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TP-434 (Eravacycline) 100mg

CAT: 0628-A13887-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13887-100Size:100 mg
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CAS Number
1207283-85-9

Chemical Information

Tp-434

Eravacycline is a member of tetracyclines.

CAS Number1207283-85-9
PubChem CID54726192
IUPAC Name(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular FormulaC27H31FN4O8
Molecular Weight558.6
XLogP1
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity1200
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F
InChI
InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1
InChIKey
AKLMFDDQCHURPW-ISIOAQNYSA-N
Chemical Structure
2D Structure
2D structure of Tp-434
CAS: 1207283-85-9
CID: 54726192
Formula: C27H31FN4O8
MW: 558.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.6
XLogP31
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass558.21259212
Monoisotopic Mass558.21259212
Topological Polar Surface Area194 Ų
Heavy Atom Count40
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS384688-01TP-434 (Eravacycline)
QP13789-100mgRecombinant other TP 5 Protein, Untagged, E.coli-100mg
FT170548-01TP-434 2HCl
TRC-E594000-25MGEravacycline
T11227L-01Eravacycline dihydrochloride
T11227L1-01Eravacycline HCl
CS-EO-02349Eravacycline d8
CS-EO-02347Eravacycline d3
CS-EO-02348Eravacycline d6
HY-16980A-01Eravacycline (dihydrochloride)

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