U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry EPIMERIC
Molecular Formula C38H37ClN7O4P
Molecular Weight 722.172
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[9-[(2R,6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-trityl-morpholin-2-yl]purin-6-yl]benzamide

SMILES

CN(C)P(Cl)(=O)OC[C@@H]1CN(C[C@@H](O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=HRNHOEBQNIMEGD-RJFDGRJRSA-N
InChI=1S/C38H37ClN7O4P/c1-44(2)51(39,48)49-25-32-23-45(38(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31)24-33(50-32)46-27-42-34-35(40-26-41-36(34)46)43-37(47)28-15-7-3-8-16-28/h3-22,26-27,32-33H,23-25H2,1-2H3,(H,40,41,43,47)/t32-,33+,51?/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H37ClN7O4P
Molecular Weight 722.172
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
S3743Q2VHD
Record Status Validated (UNII)
Record Version