Hetacillin

CAT: 0931-T32064Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T32064Size:1 mg

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CAS Number

3511-16-8

Target

Others, Antibacterial

Related Pathways

Others, Microbiology/Virology

Bioactivity

Hetacillin is a β-lactam antibiotic belonging to the aminopenicillin class. Hetacillin itself is a prodrug and lacks intrinsic antibacterial activity, but it rapidly releases acetone in vivo to generate ampicillin. The active metabolite ampicillin exhibits broad-spectrum antibacterial effects against both Gram-positive and Gram-negative bacteria.

Smiles

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)c1ccccc1)C(O)=O

Molecular Formula

C19H23N3O4S

Molecular Weight

389.47

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Hetacillin

Hetacillin is a penicillin. It has a role as an antibacterial drug. It is a conjugate acid of a hetacillin(1-).

CAS Number	3511-16-8
PubChem CID	443387
IUPAC Name	(2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula	C19H23N3O4S
Molecular Weight	389.5
XLogP	-0.6
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	688

SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1

InChIKey

DXVUYOAEDJXBPY-NFFDBFGFSA-N

Chemical Structure

2D Structure

CAS: 3511-16-8

CID: 443387

Formula: C19H23N3O4S

MW: 389.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	389.5
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	389.14092740
Monoisotopic Mass	389.14092740
Topological Polar Surface Area	115 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	688
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
TRC-H289570-100MG	Hetacillin
HY-CE01819	Hetacillin-CoA
MBS3845309-01	Hetacillin potassium
HY-16251	Hetacillin (potassium)
A20871-500	Hetacillin potassium 500mg
A20871-50	Hetacillin potassium 50mg
A20871-100	Hetacillin potassium 100mg

Hetacillin

Chemical Information

Alternative Products

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