Sultamicillin

CAT: 0013-GTR19156717-01Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19156717-01Size:200 mg

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Description

Sultamicillin is an orally active double prodrug of Ampicillin/Sulbactan. Sulbactam is a semisynthetic β-Lactamase inhibitor.

CAS Number

76497-13-7

Field of Research

Pharmacology & Drug Discovery

Purity

>98% (HPLC)

Solubility

In Vitro: DMSO : 100 mg/mL (168.16 mM)

Smiles

[H][C@]12SC (C) (C) [C@@H] (N1C (=O) [C@H]2NC (=O) [C@H] (N) c1ccccc1) C (=O) OCOC (=O) [C@@H]1N2C (=O) C[C@@]2 ([H]) S (=O) (=O) C1 (C) C

Molecular Formula

C25H30N4O9S2

Molecular Weight

594.66

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Sultamicillin

Sultamicillin is a penicillanic acid ester. It is functionally related to an ampicillin and a sulbactam.

CAS Number	76497-13-7
PubChem CID	444022
IUPAC Name	[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Formula	C25H30N4O9S2
Molecular Weight	594.7
XLogP	0.7
Topological Polar Surface Area	216
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Heavy Atom Count	40
Formal Charge	0
Complexity	1240

SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)[C@H]4C(S(=O)(=O)[C@H]5N4C(=O)C5)(C)C)C

InChI

InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/t14-,15-,16-,17+,18+,21-/m1/s1

InChIKey

OPYGFNJSCUDTBT-PMLPCWDUSA-N

Chemical Structure

2D Structure

CAS: 76497-13-7

CID: 444022

Formula: C25H30N4O9S2

MW: 594.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	594.7
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	594.14542089
Monoisotopic Mass	594.14542089
Topological Polar Surface Area	216 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
RM-S211300-01	Sultamicillin
GA7670-1g	Sultamicillin tosylate
HY-N7115R	Sultamicillin (Standard)
OR1028139	Sultamicillin Tosilate

Sultamicillin

Chemical Information

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