TP-434 (Eravacycline) 50mg

CAT: 0628-A13887-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13887-50Size:50 mg

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CAS Number

1207283-85-9

Chemical Information

Tp-434

Eravacycline is a member of tetracyclines.

CAS Number	1207283-85-9
PubChem CID	54726192
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 Formula	C27H31FN4O8
Molecular Weight	558.6
XLogP	1
Topological Polar Surface Area	194
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	40
Formal Charge	0
Complexity	1200

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

CAS: 1207283-85-9

CID: 54726192

Formula: C27H31FN4O8

MW: 558.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	558.6
XLogP3	1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	558.21259212
Monoisotopic Mass	558.21259212
Topological Polar Surface Area	194 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS384688-01	TP-434 (Eravacycline)
FT170548-01	TP-434 2HCl
TRC-E594000-25MG	Eravacycline
T11227L-01	Eravacycline dihydrochloride
T11227L1-01	Eravacycline HCl
CS-EO-02349	Eravacycline d8
CS-EO-02347	Eravacycline d3
CS-EO-02348	Eravacycline d6
HY-16980A-01	Eravacycline (dihydrochloride)
HY-16980S-01	Eravacycline-d4 (dihydrochloride)

TP-434 (Eravacycline) 50mg

Chemical Information

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