RONICICLIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21F3N4O3S
Molecular Weight	430.445
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RONICICLIB

Structure Search

SMILES

C[C@@H](O)[C@@H](C)OC1=NC(NC2=CC=C(C=C2)[S@](=N)(=O)C3CC3)=NC=C1C(F)(F)F

InChI

InChIKey=UELYDGOOJPRWGF-SRQXXRKNSA-N

InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H21F3N4O3S
Molecular Weight	430.445
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:09:29 UTC 2023` Edited by `admin` on `Sat Dec 16 05:09:29 UTC 2023`
Record UNII	0W9Q8U337A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RONICICLIB

Official Name

English

BAY1000394

Code

English

BAY10-00394

Code

English

BAY-1000394

Code

English

2-BUTANOL, 3-((2-((4-((S(R))-S-CYCLOPROPYLSULFONIMIDOYL)PHENYL)AMINO)-5-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)OXY)-, (2R,3R)-

Common Name

English

roniciclib [INN]

Common Name

English

(R)-S-CYCLOPROPYL-S-(4-((4-(((1R,2R)-2-HYDROXY-1-METHYLPROPYL)OXY)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)AMINO)PHENYL)SULFOXIMIDE

Systematic Name

English

Roniciclib [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2185

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

Code System Code Type Description

SMS_ID

100000174947

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

PUBCHEM

71494949

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

FDA UNII

0W9Q8U337A

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

NCI_THESAURUS

C92579

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

ChEMBL

CHEMBL3544942

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

CAS

1223498-69-8

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

DRUG BANK

DB12974

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

INN

9806

Created by admin on Sat Dec 16 05:09:29 UTC 2023 , Edited by admin on Sat Dec 16 05:09:29 UTC 2023

PRIMARY

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