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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38N4O.C7H8O3S
Molecular Weight 630.84
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-075

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CCC2=CC=C(C=C2)C(CC)(CC)NC(=O)C3=C4N[C@H](CC(C)(C)N4N=C3C)C5=CC=CC=C5

InChI

InChIKey=NDWLAPXXXCPRNP-GJFSDDNBSA-N
InChI=1S/C29H38N4O.C7H8O3S/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22;1-6-2-4-7(5-3-6)11(8,9)10/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34);2-5H,1H3,(H,8,9,10)/t24-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TAK-075
Common Name English
(5R)-N-(1-ETHYL-1-(4-ETHYLPHENYL)PROPYL)-2,7,7-TRIMETHYL-5-PHENYL-4,5,6,7-TETRAHYDROPYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXAMIDE MONOTOSYLATE
Systematic Name English
PYRAZOLO(1,5-A)PYRIMIDINE-3-CARBOXAMIDE, N-(1-ETHYL-1-(4-ETHYLPHENYL)PROPYL)-4,5,6,7-TETRAHYDRO-2,7,7-TRIMETHYL-5-PHENYL-, (5R)-, 4-METHYLBENZENESULFONATE (1:1)
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 568816
Created by admin on Sat Dec 16 14:04:48 GMT 2023 , Edited by admin on Sat Dec 16 14:04:48 GMT 2023
Code System Code Type Description
FDA UNII
N9LP5QC07K
Created by admin on Sat Dec 16 14:04:48 GMT 2023 , Edited by admin on Sat Dec 16 14:04:48 GMT 2023
PRIMARY
PUBCHEM
135565722
Created by admin on Sat Dec 16 14:04:48 GMT 2023 , Edited by admin on Sat Dec 16 14:04:48 GMT 2023
PRIMARY
CAS
667931-33-1
Created by admin on Sat Dec 16 14:04:48 GMT 2023 , Edited by admin on Sat Dec 16 14:04:48 GMT 2023
PRIMARY