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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H43N6O3P
Molecular Weight 746.8351
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethylethyl (3R)-3-[3-(4-phenoxyphenyl)-4-[(triphenylphosphoranylidene)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate

SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)N2N=C(C3=C2N=CN=C3N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(OC8=CC=CC=C8)C=C7

InChI

InChIKey=ARECIKOLCWUROL-UUWRZZSWSA-N
InChI=1S/C45H43N6O3P/c1-45(2,3)54-44(52)50-30-16-17-34(31-50)51-43-40(41(48-51)33-26-28-36(29-27-33)53-35-18-8-4-9-19-35)42(46-32-47-43)49-55(37-20-10-5-11-21-37,38-22-12-6-13-23-38)39-24-14-7-15-25-39/h4-15,18-29,32,34H,16-17,30-31H2,1-3H3/t34-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,1-Dimethylethyl (3R)-3-[3-(4-phenoxyphenyl)-4-[(triphenylphosphoranylidene)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate
Systematic Name English
1-Piperidinecarboxylic acid, 3-[3-(4-phenoxyphenyl)-4-[(triphenylphosphoranylidene)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-, 1,1-dimethylethyl ester, (3R)-
Preferred Name English
Code System Code Type Description
CAS
2064175-42-2
Created by admin on Wed Apr 02 19:28:23 GMT 2025 , Edited by admin on Wed Apr 02 19:28:23 GMT 2025
PRIMARY
PUBCHEM
171390148
Created by admin on Wed Apr 02 19:28:23 GMT 2025 , Edited by admin on Wed Apr 02 19:28:23 GMT 2025
PRIMARY
FDA UNII
RGZ2B58LN4
Created by admin on Wed Apr 02 19:28:23 GMT 2025 , Edited by admin on Wed Apr 02 19:28:23 GMT 2025
PRIMARY