raltitrexed disodium (Q27260831)

UNII-50VZN4BPUK (English)

14 October 2016

chemical formula

C₂₁H₂₀N₄Na₂O₆S

1 reference

UNII-50VZN4BPUK (English)

14 October 2016

canonical SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

1 reference

UNII-50VZN4BPUK (English)

14 October 2016

isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

1 reference

UNII-50VZN4BPUK (English)

InChI=1S/C21H22N4O6S.2Na/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27;;/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28);;/q;2*+1/p-2/t15-;;/m0../s1

14 October 2016

Identifiers

InChI

1 reference

UNII-50VZN4BPUK (English)

HYYVJHYAMGPPLX-CKUXDGONSA-L

14 October 2016

InChIKey

1 reference

UNII-50VZN4BPUK (English)

14 October 2016

1 reference

Disodium (2S)-2-{[(5-{methyl[(2-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)methyl]amino}-2-thienyl)carbonyl]amino}pentanedioate (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-50VZN4BPUK (English)

14 October 2016

1 reference

UNII

50VZN4BPUK

raltitrexed disodium (English)