Diphenicillin

CAT: 0013-GTR19255828-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19255828-02Size:10 mg

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Description

Diphenicillin (Ancillin (free acid) ; 2-Biphenylyl penicillin (free acid) ; SKF-12141 (free acid) ) is a penicillin that resists Penicillinase and exhibits antibacterial activity. It shows effective activity against Gram-positive cocci. Diphenicillin is promising for research on infectious diseases caused by Gram-positive bacteria such as staphylococci, pneumococci, and group A streptococci.

CAS Number

304-43-8

Field of Research

Infectious Disease & Virology

Smiles

C (O) (=O) [C@@H]1N2[C@@] ([C@H] (NC (=O) C3=C (C=CC=C3) C4=CC=CC=C4) C2=O) (SC1 (C) C) [H]

Molecular Formula

C21H20N2O4S

Molecular Weight

396.459

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Diphenicillin

CAS Number	304-43-8
PubChem CID	120650
IUPAC Name	(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula	C21H20N2O4S
Molecular Weight	396.5
XLogP	3.5
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	661

SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C21H20N2O4S/c1-21(2)16(20(26)27)23-18(25)15(19(23)28-21)22-17(24)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15-16,19H,1-2H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1

InChIKey

BBQSZMJQBZBHAO-JTDSTZFVSA-N

Chemical Structure

2D Structure

CAS: 304-43-8

CID: 120650

Formula: C21H20N2O4S

MW: 396.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.5
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	396.11437830
Monoisotopic Mass	396.11437830
Topological Polar Surface Area	112 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	661
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TN10470-01	Diphenicillin

Diphenicillin

Chemical Information

Alternative Products

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