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Amdinocillin

CAT: 0926-AA17347-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-AA17347-01Size:0.5 g
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CAS Number
32887-01-7
Synonyms
(2S,5R,6R) -6-[[ (Hexahydro-1H-azepin-1-yl) methylene]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; FL- 1060, ro-9070, mecillinam, 6-[[ (hexahydro-1H-azepin-1-yl) methylene]amino]penicillanic acid; Mecillinam
MDL Number
MFCD00056869
Smiles
CC1 ([C@@H] (N2[C@H] (S1) [C@@H] (C2=O) N=CN3CCCCCC3) C (=O) O) C
Molecular Formula
C15H23N3O3S
Molecular Weight
325.43 g/mol
Controlled
No

Chemical Information

Amdinocillin

Mecillinam is a penicillin in which the 6beta substituent is [(azepan-1-yl)methylidene]amino; an extended-spectrum penicillin antibiotic that binds specifically to penicillin binding protein 2 (PBP2), and is only considered to be active against Gram-negative bacteria. It has a role as an antiinfective agent and an antibacterial drug.

CAS Number32887-01-7
PubChem CID36273
IUPAC Name(2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC15H23N3O3S
Molecular Weight325.4
XLogP2.1
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity500
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C
InChI
InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1
InChIKey
BWWVAEOLVKTZFQ-NTZNESFSSA-N
Chemical Structure
2D Structure
2D structure of Amdinocillin
CAS: 32887-01-7
CID: 36273
Formula: C15H23N3O3S
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass325.14601278
Monoisotopic Mass325.14601278
Topological Polar Surface Area98.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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