TAK-075

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 Search

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

Molecular Formula	C29H38N4O
Molecular Weight	458.6382
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:04:47 GMT 2023` Edited by `admin` on `Sat Dec 16 14:04:47 GMT 2023`
Record UNII	N9LP5QC07K
Record Status	`Validated (UNII)`
Record Version

Download

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

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