7-Amca

CAT: 1299-RM-C061619-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C061619-04Size:100 mg

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CAS Number

24701-69-7

Synonyms

(6R,7R) -7-amino-3- (methoxymethyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula

C9H12N2O4S

Molecular Weight

244.27

Target Alternative Name

Cefpodoxime

Product Name Synonym

(6R,7R) -7-amino-3- (methoxymethyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Information

(6R,7R)-7-Amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS Number	24701-69-7
PubChem CID	9816277
IUPAC Name	(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C9H12N2O4S
Molecular Weight	244.27
XLogP	-4.1
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	382

SMILES

COCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C9H12N2O4S/c1-15-2-4-3-16-8-5(10)7(12)11(8)6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5-,8-/m1/s1

InChIKey

BDSDFCVDQUGOFB-SVGQVSJJSA-N

Chemical Structure

2D Structure

CAS: 24701-69-7

CID: 9816277

Formula: C9H12N2O4S

MW: 244.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.27
XLogP3	-4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	244.05177804
Monoisotopic Mass	244.05177804
Topological Polar Surface Area	118 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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RG-A130930-01	7-Aminoclonazepam
RG-A260804-01	7-Methylguanine
RG-T052075-01	Tetraethyl Heptane-1,1,7,7-Tetracarboxylate
RG-A260421-01	1,1,3,3,5,7,7-heptamethyl-1,5,7-trivinyltetrasiloxane discontinued
RG-E140752-01	7.7-dimethylnon-8-ene-1.8-diol
RG-A260399-01	7,8-Dihydrobenzo[Pqr]Tetraphene-7,8-Diol