Imipenem-d4

CAT: 1596-AR-I01390-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-I01390-02Size:25 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1261396-26-2

Synonyms

(5R,6S) -3- ((2-formimidamidoethyl) thio) -6- ((R) -1-hydroxyethyl) -7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid-D4; Imipenem-d4

Molecular Formula

C12H13N3O4SD4

Molecular Weight

303.38

API Name

Imipenem

Chemical Information

Imipenem-d4

CAS Number	1261396-26-2
PubChem CID	49849742
IUPAC Name	(5R,6S)-3-[2-(aminomethylideneamino)-1,1,2,2-tetradeuterioethyl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Formula	C12H17N3O4S
Molecular Weight	303.37
XLogP	-0.7
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	491

SMILES

[2H]C([2H])(C([2H])([2H])SC1=C(N2[C@H](C1)[C@H](C2=O)[C@@H](C)O)C(=O)O)N=CN

InChI

InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1/i2D2,3D2

InChIKey

ZSKVGTPCRGIANV-OZYAQZRRSA-N

Chemical Structure

2D Structure

CAS: 1261396-26-2

CID: 49849742

Formula: C12H17N3O4S

MW: 303.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.37
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	303.11908419
Monoisotopic Mass	303.11908419
Topological Polar Surface Area	142 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	491
Isotope Atom Count	4
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

Catalog	Name
TMID-0072-01	Imipenem-d4
MBS3605839-01	Imipenem