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Methotrexate disodium 50mg

CAT: 0628-A17943-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A17943-50Size:50 mg
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CAS Number
7413-34-5

Chemical Information

Sodium Methotrexate

Methotrexate Sodium can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number7413-34-5
PubChem CID11329481
IUPAC Namedisodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Molecular FormulaC20H20N8Na2O5
Molecular Weight498.4
Topological Polar Surface Area216
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity693
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-].[Na+].[Na+]
InChI
InChI=1S/C20H22N8O5.2Na/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);;/q;2*+1/p-2/t13-;;/m0../s1
InChIKey
DASQOOZCTWOQPA-GXKRWWSZSA-L
Chemical Structure
2D Structure
2D structure of Sodium Methotrexate
CAS: 7413-34-5
CID: 11329481
Formula: C20H20N8Na2O5
MW: 498.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass498.13520433
Monoisotopic Mass498.13520433
Topological Polar Surface Area216 Ų
Heavy Atom Count35
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C6503-100Methotrexate disodium
HY-14519A-01Methotrexate (disodium)
TRC-M260753-100MGMethotrexate Disodium Salt
HY-14519AR-01Methotrexate (disodium) (Standard)
AR-M04448-01Methotrexate EP Impurity F Disodium Salt ((R) -Methotrexate Disodium Salt)
AR-M04454-01Methotrexate-13C-d3 Disodium Salt
AR-M04456-01Methotrexate EP Impurity F-13C-d3 Disodium Salt ((R) -Methotrexate-13C-d3 Disodium Salt)
AR-M03587-01Methotrexate Nitroso Impurity 1 (disodium salt)
AR-M02999-01Methotrexate EP Impurity G Disodium Salt
AR-M03584-01Methotrexate EP Impurity L Disodium salt

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