Products for Research Use Only
RegisterLogin

Methotrexate

CAT: 0013-GTR19154356-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19154356-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Methotrexate
CAS Number
133073-73-1
Product Name Alternative
Amethopterin; CL-14377; NSC740
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Bioactivity
Dihydrofolate reductase inhibitor; Inhibits DNA synthesis
Form
Powder
Solubility
Soluble in DMSO (up to 45 mg/ml) .
Molecular Formula
C20H22N8O5 ∙ xH2O
Molecular Weight
554.4
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
N-[4-[[ (2,4-Diamino-6-pteridinyl) methyl]methylamino]benzoyl]-L-glutamic acid

Chemical Information

Methotrexate monohydrate

Methotrexate hydrate is a member of folic acids.

CAS Number133073-73-1
PubChem CID165528
IUPAC Name(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate
Molecular FormulaC20H24N8O6
Molecular Weight472.5
Topological Polar Surface Area212
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity704
SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O
InChI
InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1
InChIKey
FPJYMUQSRFJSEW-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of Methotrexate monohydrate
CAS: 133073-73-1
CID: 165528
Formula: C20H24N8O6
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass472.18188052
Monoisotopic Mass472.18188052
Topological Polar Surface Area212 Ų
Heavy Atom Count34
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A4347-200Methotrexate
HY-121151(±) -Methotrexate
JL54726-01Methotrexate (Methotrexate) ELISA Kit

Popular Products