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96694

Methotrexate-(methyl-13C,d3)

analytical standard

Synonym(s):

[13C,2H3]-Methotrexate

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About This Item

Empirical Formula (Hill Notation):
13CC19D3H19N8O5
Molecular Weight:
458.45
NACRES:
NA.24
PubChem Substance ID:
329770526
UNSPSC Code:
41116107
MDL number:
MFCD27665512
Technical Service
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grade

analytical standard

Quality Level

100

assay

≥95.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

pharmaceutical (small molecule)

format

neat

storage temp.

2-8°C

SMILES string

NC1=NC(N=C2)=C(C(N)=N1)N=C2CN([13C]([2H])([2H])[2H])C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3

InChI

1S/C20H22N8O5/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)/t13-/m0/s1/i1+1D3

InChI key

FBOZXECLQNJBKD-AIFPBEHOSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Analysis Note

LS-MS identity conforms

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Muta. 1B - Repr. 1B - Skin Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCBV6878

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