Fluometacyl

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24F2N6O3S
Molecular Weight	478.515
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4N=NN([C@@H]5C[C@H](O)[C@@H](O)[C@H]5O)C4=N1

InChI

InChIKey=XYLIQTKEYHWYGG-XUNGLMTJSA-N

InChI=1S/C21H24F2N6O3S/c1-2-5-33-21-25-19(24-13-7-10(13)9-3-4-11(22)12(23)6-9)16-20(26-21)29(28-27-16)14-8-15(30)18(32)17(14)31/h3-4,6,10,13-15,17-18,30-32H,2,5,7-8H2,1H3,(H,24,25,26)/t10-,13+,14+,15-,17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H24F2N6O3S
Molecular Weight	478.515
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:24:43 UTC 2023` Edited by `admin` on `Sat Dec 16 09:24:43 UTC 2023`
Record UNII	JTJ345Q434
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Fluometacyl

Common Name

English

AZ11879328-003

Common Name

English

AR-C 124910XX

Code

English

1,2,3-Cyclopentanetriol, 4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-, (1S,2R,3S,4R)-

Systematic Name

English

AR-C124910XX

Common Name

English

(1S,2R,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-1,2,3-cyclopentanetriol

Systematic Name

English

Code System Code Type Description

PUBCHEM

49846084

Created by admin on Sat Dec 16 09:24:43 UTC 2023 , Edited by admin on Sat Dec 16 09:24:43 UTC 2023

PRIMARY

CAS

220347-05-7

Created by admin on Sat Dec 16 09:24:43 UTC 2023 , Edited by admin on Sat Dec 16 09:24:43 UTC 2023

PRIMARY

SMS_ID

300000010400

Created by admin on Sat Dec 16 09:24:43 UTC 2023 , Edited by admin on Sat Dec 16 09:24:43 UTC 2023

PRIMARY

FDA UNII

JTJ345Q434

Created by admin on Sat Dec 16 09:24:43 UTC 2023 , Edited by admin on Sat Dec 16 09:24:43 UTC 2023

PRIMARY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC