U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27N5O7
Molecular Weight 473.4791
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITD-203

SMILES

CC(C)C(=O)OC[C@H]1O[C@@H](N2C=C(C(N)=O)C3=C2N=CN=C3N)[C@@](O)(C#C)[C@@H]1OC(=O)C(C)C

InChI

InChIKey=XEXIBCFENAZVIS-RHKYQUECSA-N
InChI=1S/C22H27N5O7/c1-6-22(31)15(34-20(30)11(4)5)13(8-32-19(29)10(2)3)33-21(22)27-7-12(17(24)28)14-16(23)25-9-26-18(14)27/h1,7,9-11,13,15,21,31H,8H2,2-5H3,(H2,24,28)(H2,23,25,26)/t13-,15-,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27N5O7
Molecular Weight 473.4791
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:14:38 GMT 2023
Edited
by admin
on Sat Dec 16 05:14:38 GMT 2023
Record UNII
40167020BV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITD-203
Common Name English
7H-PYRROLO(2,3-D)PYRIMIDINE-5-CARBOXAMIDE, 4-AMINO-7-(2-C-ETHYNYL-3,5-BIS-O-(2-METHYL-1-OXOPROPYL)-.BETA.-D-RIBOFURANOSYL)-
Common Name English
3',5'-O-DIISOBUTYRYL-2'-C-ACETYLENE-7-DEAZA-7-CARBAMOYL-ADENOSINE
Common Name English
Code System Code Type Description
CAS
1207518-71-5
Created by admin on Sat Dec 16 05:14:38 GMT 2023 , Edited by admin on Sat Dec 16 05:14:38 GMT 2023
PRIMARY
PUBCHEM
44633774
Created by admin on Sat Dec 16 05:14:38 GMT 2023 , Edited by admin on Sat Dec 16 05:14:38 GMT 2023
PRIMARY
FDA UNII
40167020BV
Created by admin on Sat Dec 16 05:14:38 GMT 2023 , Edited by admin on Sat Dec 16 05:14:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID00153000
Created by admin on Sat Dec 16 05:14:38 GMT 2023 , Edited by admin on Sat Dec 16 05:14:38 GMT 2023
PRIMARY