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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29N7O6
Molecular Weight 507.5521
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGS-21680 H-3

SMILES

[3H]C([3H])(C(O)=O)C([3H])([3H])C1=CC=C(CCNC2=NC3=C(N=CN3[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NCC)C(N)=N2)C=C1

InChI

InChIKey=PAOANWZGLPPROA-WYVUJEIXSA-N
InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1/i7T2,8T2

HIDE SMILES / InChI

Approval Year

Name Type Language
CGS-21680 H-3
Code English
[3H]CGS-21680
Common Name English
Benzenepropanoic-α,α,β,β-t4 acid, 4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-
Systematic Name English
CGS 21680, [Carboxyethyl-3H(N)]-,
Code English
Code System Code Type Description
FDA UNII
P94ZFU28XH
Created by admin on Sat Dec 16 18:22:50 GMT 2023 , Edited by admin on Sat Dec 16 18:22:50 GMT 2023
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