KTX-1001 D-tartrate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26F4N8O2.C4H6O6
Molecular Weight	696.6068
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]([C@H](O)C(O)=O)C(O)=O.COC1=C(F)C=C(C(F)=C1)C2=NC=C(N3CCC[C@@](N)(C3)[C@H](O)C(F)F)C(CN4C=NC5=C4N=CN=C5N)=C2

InChI

InChIKey=MHZRSIONLNCYOJ-BQVXHLEDSA-N

InChI=1S/C25H26F4N8O2.C4H6O6/c1-39-19-7-15(26)14(6-16(19)27)17-5-13(9-37-12-35-20-23(30)33-11-34-24(20)37)18(8-32-17)36-4-2-3-25(31,10-36)21(38)22(28)29;5-1(3(7)8)2(6)4(9)10/h5-8,11-12,21-22,38H,2-4,9-10,31H2,1H3,(H2,30,33,34);1-2,5-6H,(H,7,8)(H,9,10)/t21-,25-;1-,2-/m10/s1

HIDE SMILES / InChI

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C25H26F4N8O2
Molecular Weight	546.52
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:28:07 GMT 2023` Edited by `admin` on `Sat Dec 16 19:28:07 GMT 2023`
Record UNII	8T4LU8M9TG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KTX-1001 D-tartrate

Common Name

English

(S)-1-((R)-3-amino-1-(4-((6-amino-9H-purin-9-yl)methyl)-6-(2,5-difluoro-4-methoxyphenyl)pyridin-3-yl)piperidin-3-yl)-2,2-difluoroethan-1-ol D-tartrate salt (1:1)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

941323

Created by admin on Sat Dec 16 19:28:07 GMT 2023 , Edited by admin on Sat Dec 16 19:28:07 GMT 2023

Code System Code Type Description

FDA UNII

8T4LU8M9TG

Created by admin on Sat Dec 16 19:28:07 GMT 2023 , Edited by admin on Sat Dec 16 19:28:07 GMT 2023

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PUBCHEM

168429488

Created by admin on Sat Dec 16 19:28:07 GMT 2023 , Edited by admin on Sat Dec 16 19:28:07 GMT 2023

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