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CAS Number: 1208319-30-5
((1r,4r)-4-(methyl(7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonic acid

Structure

 ((1r,4r)-4-(methyl(7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonic acid
Name: ((1r,4r)-4-(methyl(7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonic acid
Synonyms:
General Information
Product Number: 1208319305

CAS Registry Number 1208319-30-5
Name:
Cyclohexanemethanesu?lfonic acid, 4-?[methyl[7-?[(4-?methylphenyl)?sulfonyl]?-?7H-?pyrrolo[2,?3-?d]?pyrimidin-?4-?yl]?amino]?-?, trans-

 

Chemical Formula: C21H26N4O5S2
Exact Mass: 478.13
Molecular Weight: 478.58
m/z: 478.13 (100.0%), 479.14 (23.2%), 480.13 (9.4%), 480.14 (4.0%), 479.13 (3.1%), 481.13 (2.3%)

 

InChI:InChI=1S/C21H26N4O5S2/c1-15-3-9-18(10-4-15)32(29,30)25-12-11-19-20(22-14-23-21(19)25)24(2)17-7-5-16(6-8-17)13-31(26,27)28/h3-4,9-12,14,16-17H,5-8,13H2,1-2H3,(H,26,27,28)

InChI Key:LTSRJGDQMHSSQX-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CN=C3N(C)C4CCC(CC4)CS(=O)(=O)O

Specification

98%
References

PCT Int. Appl. (2011), WO 2011075334 A1 20110623.

PCT Int. Appl. (2011), WO 2011045702 A1 20110421.                                 
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