Products for Research Use Only
RegisterLogin

2-Carboxy Cloxacillin

CAT: 0572-TRC-C589510-50MGSize: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-C589510-50MGSize:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1642629-96-6
Synonyms
5-(1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-6,7-dihydrothieno[3,2-c]pyridin-5-ium Bromide
Hazard Statement
No Data Available
Smiles
OC(C(C1N[C@H](C(C)(S1)C)C(O)=O)NC(C2=C(C)ON=C2C3=C(C=CC=C3)Cl)=O)=O
Molecular Formula
C19H20ClN3O6S
Molecular Weight
453.89
InChI
InChI=1S/C19H20ClN3O6S/c1-8-11(12(23-29-8)9-6-4-5-7-10(9)20)15(24)21-13(17(25)26)16-22-14(18(27)28)19(2,3)30-16/h4-7,13-14,16,22H,1-3H3,(H,21,24)(H,25,26)(H,27,28)/t13?,14-,16?/m0/s1
Additionnal Information
IUPAC name: (4S)-2-(carboxy(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Cloxacillin penicilloic acid
CAS Number1642629-96-6
PubChem CID155801575
IUPAC Name(4S)-2-[carboxy-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC19H20ClN3O6S
Molecular Weight453.9
XLogP0.1
Topological Polar Surface Area167
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity695
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(C3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O
InChI
InChI=1S/C19H20ClN3O6S/c1-8-11(12(23-29-8)9-6-4-5-7-10(9)20)15(24)21-13(17(25)26)16-22-14(18(27)28)19(2,3)30-16/h4-7,13-14,16,22H,1-3H3,(H,21,24)(H,25,26)(H,27,28)/t13?,14-,16?/m0/s1
InChIKey
DULNZIMTIHIZEK-BBBYJDLNSA-N
Chemical Structure
2D Structure
2D structure of Cloxacillin penicilloic acid
CAS: 1642629-96-6
CID: 155801575
Formula: C19H20ClN3O6S
MW: 453.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.9
XLogP30.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass453.0761342
Monoisotopic Mass453.0761342
Topological Polar Surface Area167 Ų
Heavy Atom Count30
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-C587465-200MGCloxacillin Benzathine (2:1)
TRC-C587465-100MGCloxacillin Benzathine (2:1)
TRC-C587465-1GCloxacillin Benzathine (2:1)
TRC-C587460-1GCloxacillin Sodium Salt
TRC-C587460-5GCloxacillin Sodium Salt
TRC-E273430-5MGN-2-Ethylhexanoyl Cloxacillin Penicilloic Acid
TRC-C587460-10GCloxacillin Sodium Salt
TRC-C344760-5MG2-Carboxy Ceftizoxime
TRC-C587462-10MGCloxacillin-13C4 Sodium Salt
TRC-C587462-1MGCloxacillin-13C4 Sodium Salt

Alternative Products

CatalogName
AR-C03378-01Cloxacillin Impurity 2
TMB_MUHAC_P90_10Mueller Hinton 2 Agar + Cloxacillin 10 x 90 mm Petri
92169Ertapenem/Ertapenem+Cloxacillin ETP/ECX 0.125-8/0.032-2
ABDCOX5BCloxacillin
C038-1GCloxacillin Sodium
444921-01Cloxacillin Benzathine

Popular Products