6-Aminopenicillanic acid

CAT: 0862-GA3817-50gSize: 50 gDry Ice: NoHazardous: No

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CAT#:0862-GA3817-50gSize:50 g

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CAS Number

551-16-6

EC Number

208-993-4

MDL Number

MFCD00005176

HS Code

29349990

Purity

97.00%

Molecular Formula

C8H12N2O3S

Molecular Weight

216.26

Storage Conditions

+4°C

Hazardous Class

Not hazardous

Chemical Information

6-Aminopenicillanic acid

6-aminopenicillanic acid is a penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics. It has a role as an allergen. It is functionally related to a penicillanic acid. It is a conjugate acid of a 6-aminopenicillanate. It is a tautomer of a 6-aminopenicillanic acid zwitterion.

CAS Number	551-16-6
PubChem CID	11082
IUPAC Name	(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula	C8H12N2O3S
Molecular Weight	216.26
XLogP	-2.1
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	318

SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C

InChI

InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-N

Chemical Structure

2D Structure

CAS: 551-16-6

CID: 11082

Formula: C8H12N2O3S

MW: 216.26

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	216.26
XLogP3	-2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	216.05686342
Monoisotopic Mass	216.05686342
Topological Polar Surface Area	109 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	318
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

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Alternative Products

Catalog	Name
PDK0270	6-Aminopenicillanic acid
002446	(+) -6-Aminopenicillanic Acid
TRC-A618895-10G	(+)-6-Aminopenicillanic Acid
437877-01	(+) -6-Aminopenicillanic Acid-d3
TRC-A618897-25MG	(+)-6-Aminopenicillanic Acid-d3
HY-W013549R-01	6-Aminopenicillanic acid (Standard)
TRC-C587470-100MG	Cloxacillin Dehydroxy-(6-aminopenicillanic Acid)
AR-S08066-01	Amoxicillin EP Impurity A ((+) -6-Aminopenicillanic Acid)
TRC-O758480-5MG	N-Oxacilloilyl (+)-6-Aminopenicillanic Acid Disodium Salt
459574-01	N-Oxacilloilyl (+) -6-Aminopenicillanic Acid Disodium Salt

6-Aminopenicillanic acid

Chemical Information

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