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Doripenem 500mg

CAT: 0628-A12818-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A12818-500Size:500 mg
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CAS Number
148016-81-3

Chemical Information

Doripenem

Doripenem is a member of carbapenems.

CAS Number148016-81-3
PubChem CID73303
IUPAC Name(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC15H24N4O6S2
Molecular Weight420.5
XLogP-3.4
Topological Polar Surface Area196
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity780
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O
InChI
InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
InChIKey
AVAACINZEOAHHE-VFZPANTDSA-N
Chemical Structure
2D Structure
2D structure of Doripenem
CAS: 148016-81-3
CID: 73303
Formula: C15H24N4O6S2
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP3-3.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass420.11372685
Monoisotopic Mass420.11372685
Topological Polar Surface Area196 Ų
Heavy Atom Count27
Formal Charge0
Complexity780
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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