Cefditoren Pivoxil

CAT: 0572-TRC-C242700-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-C242700-1GSize:1 g

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CAS Number

117467-28-4

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)\C=C/c3scnc3C)\c4csc(N)n4

Molecular Formula

C25 H28 N6 O7 S3

Molecular Weight

620.72

InChI

InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1

Additionnal Information

IUPAC name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Cefditoren Pivoxil

Cefditoren pivoxil is the pivaloyloxymethyl ester prodrug of cefditoren. It has a role as an antibacterial drug and a prodrug. It is a pivaloyloxymethyl ester, a member of cephams, an oxime O-ether and a member of 1,3-thiazoles. It is functionally related to a cefditoren.

CAS Number	117467-28-4
PubChem CID	6437877
IUPAC Name	2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula	C25H28N6O7S3
Molecular Weight	620.7
XLogP	4.7
Topological Polar Surface Area	257
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Heavy Atom Count	41
Formal Charge	0
Complexity	1160

SMILES

CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C

InChI

InChIKey

AFZFFLVORLEPPO-UVYJNCLZSA-N

Chemical Structure

2D Structure

CAS: 117467-28-4

CID: 6437877

Formula: C25H28N6O7S3

MW: 620.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	620.7
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Exact Mass	620.11816077
Monoisotopic Mass	620.11816077
Topological Polar Surface Area	257 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	1160
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
B2086-50	Cefditoren Pivoxil
T72457-01	Cefditoren (Pivoxil)

Cefditoren Pivoxil

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