ABT-925

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H27F3N6OS.C4H4O4.2H2O
Molecular Weight	608.631
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.OC(=O)\C=C\C(O)=O.CC(C)(C)C1=NC(=CC(=N1)N2CCN(CCCSC3=NC=CC(=O)N3)CC2)C(F)(F)F

InChI

InChIKey=GFTJDVASDZQGCG-WFNHHOHWSA-N

InChI=1S/C20H27F3N6OS.C4H4O4.2H2O/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18;5-3(6)1-2-4(7)8;;/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30);1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1+;;

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C20H27F3N6OS
Molecular Weight	456.528
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:49:12 UTC 2023` Edited by `admin` on `Fri Dec 15 15:49:12 UTC 2023`
Record UNII	XXV4WFG08S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-925

Common Name

English

4(3H)-PYRIMIDINONE, 2-((3-(4-(2-(1,1-DIMETHYLETHYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)THIO)-, (2E)-2-BUTENEDIOATE, HYDRATE (1:1:2)

Systematic Name

English

Code System Code Type Description

RXCUI

1661017

Created by admin on Fri Dec 15 15:49:12 UTC 2023 , Edited by admin on Fri Dec 15 15:49:12 UTC 2023

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RxNorm

CAS

1160247-85-7

Created by admin on Fri Dec 15 15:49:12 UTC 2023 , Edited by admin on Fri Dec 15 15:49:12 UTC 2023

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