BGC > CAS Search > 37793-53-6

Molecular Formula: C16H11F3N6O4
Molecular Weight: 408.29
Hazard Symbols: T
UN Number: UN 2811 6.1/PG 3
WGKGermany: 3
HS Code: 29339900

Description :
N10-(Trifluoroacetyl)pteroic acid (CAS# 37793-53-6) is a derivative of Pteroic acid (P840110), both of which are used as reagents to synthesize target ligands, like Folic acid (F680300), that have the ability to deliver chemotherapeutic agents specifically to cancer cells.

• Molecular Weight :408.29
• Boiling Point :650.2 ℃ at 760 mmHg
• Melting Point :270 ℃ (dec.)(lit.)
• Purity :95 %

Molecular Formula :
C16H11F3N6O4
Canonical SMILES :
C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N)C(=O)C(F)(F)F
InChI :
InChI=1S/C16H11F3N6O4/c17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11/h1-5H,6H2,(H,27,28)(H3,20,21,23,24,26)
InChIKey :
IJGIHDXKYQLIMA-UHFFFAOYSA-N
Synonyms :
4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid

More details are to be found here

Purity : 95%
Smile code : O=C(O)C1=CC=C(N(CC2=CN=C3N=C(N)NC(C3=N2)=O)C(C(F)(F)F)=O)C=C1
MDL Number : MFCD00006707
MolFormula : C16H11F3N6O4
MolWeight : 408.2916
Available in stock : 36.15

More details are to be found here

Smile code:
O=C(O)C1=CC=C(N(CC2=CN=C3N=C(N)NC(C3=N2)=O)C(C(F)(F)F)=O)C=C1
MDL Number:
MFCD00006707
Purity :
95%
Available in stock:
38.3 g

More details are to be found here

Smile code:
O=C(O)C1=CC=C(N(CC2=CN=C3N=C(N)NC(C3=N2)=O)C(C(F)(F)F)=O)C=C1
MDL Number:
MFCD00006707
Purity :
95%
Available in stock:
38.3 g

More details are to be found here

Smile code:
O=C(O)C1=CC=C(N(CC2=CN=C3N=C(N)NC(C3=N2)=O)C(C(F)(F)F)=O)C=C1
MDL Number:
MFCD00006707
Purity :
95%
Available in stock:
38.3 g

More details are to be found here