Doripenem monohydrate

CAT: 0024-sc-396071Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-396071Size:25 mg

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CAS Number

364622-82-2

Chemical Information

Doripenem Hydrate

Doripenem hydrate is a member of carbapenems.

CAS Number	364622-82-2
PubChem CID	636377
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;hydrate
Molecular Formula	C15H26N4O7S2
Molecular Weight	438.5
Topological Polar Surface Area	197
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	780

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.O

InChI

InChI=1S/C15H24N4O6S2.H2O/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);1H2/t6-,7-,8+,9+,10-,11-;/m1./s1

InChIKey

NTUBEBXBDGKBTJ-WGLOMNHJSA-N

Chemical Structure

2D Structure

CAS: 364622-82-2

CID: 636377

Formula: C15H26N4O7S2

MW: 438.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	438.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Exact Mass	438.12429153
Monoisotopic Mass	438.12429153
Topological Polar Surface Area	197 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	780
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	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
OR1027835-01	Doripenem monohydrate
HY-B0187A-01	Doripenem (monohydrate)
HY-B0187AR-01	Doripenem (monohydrate) (Standard)
AD15636-01	Doripenem

Doripenem monohydrate

Chemical Information

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