Sulbactam - Bio-X TM

CAT: 0926-BS167314Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BS167314Size:50 mg

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CAS Number

68373-14-8

MDL Number

MFCD00867005

Smiles

CC1 ([C@@H] (N2[C@H] (S1 (=O) =O) CC2=O) C (=O) O) C

Molecular Formula

C8H11NO5S

Molecular Weight

233.24 g/mol

Controlled

Chemical Information

Sulbactam

Sulbactam is a member of penicillanic acids. It is a conjugate acid of a sulbactam(1-).

CAS Number	68373-14-8
PubChem CID	130313
IUPAC Name	(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula	C8H11NO5S
Molecular Weight	233.24
XLogP	-1
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	446

SMILES

CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C

InChI

InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

InChIKey

FKENQMMABCRJMK-RITPCOANSA-N

Chemical Structure

2D Structure

CAS: 68373-14-8

CID: 130313

Formula: C8H11NO5S

MW: 233.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.24
XLogP3	-1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	233.03579362
Monoisotopic Mass	233.03579362
Topological Polar Surface Area	100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	446
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
474194	TAK 285 - Bio-X
B2131-100	Sulbactam