Trimethoprim lactate

CAT: 0063-66497422-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0063-66497422-1gSize:1 g

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CAS Number

23256-42-0

Molecular Formula

C14H18N4O3·C3H6O3

Molecular Weight

380.4

Formulation

C14H18N4O3·C3H6O3

Chemical Information

Trimethoprim lactate

CAS Number	23256-42-0
PubChem CID	3084396
IUPAC Name	2-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular Formula	C17H24N4O6
Molecular Weight	380.4
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	366

SMILES

CC(C(=O)O)O.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)

InChIKey

IIZVTUWSIKTFKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23256-42-0

CID: 3084396

Formula: C17H24N4O6

MW: 380.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	380.16958450
Monoisotopic Mass	380.16958450
Topological Polar Surface Area	163 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
20124481-01	Trimethoprim
20124481-25g	Trimethoprim
20124481-1g	Trimethoprim
18727919-500g	Ethyl lactate
18727919-100g	Ethyl lactate
90029229	Milrinone lactate
89983251	Menthyl Lactate
18727919-01	Ethyl lactate
89983251-100g	Menthyl Lactate
47327324-100g	Calcium lactate pentahydrate