(4S)-4-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic Acid (Methotrexate 1-Methyl Ester)
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- structure.search.product.name (4S)-4-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic Acid (Methotrexate 1-Methyl Ester)
- Product Code: MM0040.24-0025
- CAS Number: 66147-29-3
- Brand: Mikromol
Product Overview
Product Code
MM0040.24-0025
CAS Number
EP Description
Methotrexate Impurity I
USP Description
Methotrexate Related Compound I
Product Format
Neat
Molecular Formula
C21 H24 N8 O5
Molecular Weight
468.47
API Family
MethotrexateProduct Categories
Pharmaceutical Reference Standards, Impurity Reference Materials
Product Type
ImpurityDrug Type
Antimetabolites
Documentation
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Product Information
Analyte Data
Analyte Name
Methotrexate alpha-Methyl Ester
CAS Number
66147-29-3
Molecular Formula
C21 H24 N8 O5
Molecular Weight
468.47
Accurate Mass
468.187
SMILES
NC=1C2=C(N=CC(CN(C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(OC)=O)=O)C=C3)=N2)N=C(N)N1
InChI
InChI=1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(32)26-14(20(33)34-2)7-8-15(30)31/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,32)(H,30,31)(H4,22,23,24,27,28)/t14-/m0/s1
IUPAC
(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic acid
Product Data
Storage Temperature
-18°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
GERMANY
Product Type
Impurity
Product Format
Neat
Impurity Type
By-product
API Family
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