BGC > Product Search > Methotrexate hydrate | 59-05-2

Molecular Formula: C20H22N8O5.xH2O

EINECS: 200-413-8
Molecular formula: C20H22N8O5

Description:
Methotrexate(WR19039; CL14377) can interfere with the growth of certain cells of the body, especially cells that reproduce quickly, such as cancer cells, bone marrow cells, and skin cells.

• Molecular Weight:454.44
• Boiling Point:561.26°C
• Melting Point:>188°C (dec.)
• Purity:>98%

Molecular Formula:
C20H22N8O5
Canonical SMILES:
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChI:
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
InChIKey:
FBOZXECLQNJBKD-ZDUSSCGKSA-N
Solubility:
Soluble to 3900 mg/ml (8582 mm) in DMSO, not soluble in water
Appearance:
Orange-brown, crystalline powder
Application:
ADCs Cytotoxin
Synonyms:
WR19039; CL14377; WR 19039; WR-19039; CL 14377; CL-14377

Purity: 99% (contain ~10%water)
Smile code: O=C(O)[C@@H](NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O)CCC(O)=O
MDL Number: MFCD00064370
MolFormula: C20H22N8O5
MolWeight: 454.4393
Available in stock: 1.682

Smile code:
O=C(O)[C@@H](NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O)CCC(O)=O
MDL Number:
MFCD00064370
Purity :
99% (contain ~10%water)
Available in stock:
10.68 g