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Benzathine Penicillin

CAT: 1299-RM-B052523-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B052523-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1538-09-6
Synonyms
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[ (2-phenylacetyl) amino]- (2S,5R,6R) -, compd. with N1, N2-bis (phenylmethyl) -1,2-ethanediamine (2:1)
Molecular Formula
C16H20N2*2C16H18N2O4S
Molecular Weight
240.35*668.78
Product Name Synonym
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[ (2-phenylacetyl) amino]- (2S,5R,6R) -, compd. with N1, N2-bis (phenylmethyl) -1,2-ethanediamine (2:1)

Chemical Information

Penicillin G Benzathine Anhydrous

See also: Penicillin G (has active moiety).

CAS Number1538-09-6
PubChem CID15232
IUPAC NameN,N'-dibenzylethane-1,2-diamine;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid)
Molecular FormulaC48H56N6O8S2
Molecular Weight909.1
Topological Polar Surface Area248
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count64
Formal Charge0
Complexity701
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
InChI
InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1
InChIKey
BVGLIYRKPOITBQ-ANPZCEIESA-N
Chemical Structure
2D Structure
2D structure of Penicillin G Benzathine Anhydrous
CAS: 1538-09-6
CID: 15232
Formula: C48H56N6O8S2
MW: 909.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight909.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass908.36010511
Monoisotopic Mass908.36010511
Topological Polar Surface Area248 Ų
Heavy Atom Count64
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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