VORUCICLIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H19ClF3NO5
Molecular Weight	469.838
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VORUCICLIB

Structure Search

SMILES

CN1CC[C@H]([C@@H]1CO)C2=C3OC(=CC(=O)C3=C(O)C=C2O)C4=CC=C(C=C4Cl)C(F)(F)F

InChI

InChIKey=MRPGRAKIAJJGMM-OCCSQVGLSA-N

InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H19ClF3NO5
Molecular Weight	469.838
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 08:00:33 UTC 2023` Edited by `admin` on `Sat Dec 16 08:00:33 UTC 2023`
Record UNII	W66XP666AM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VORUCICLIB

Official Name

English

4H-1-BENZOPYRAN-4-ONE, 2-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)-5,7-DIHYDROXY-8-((2R,3S)-2-(HYDROXYMETHYL)-1-METHYL-3-PYRROLIDINYL)-

Systematic Name

English

P-1446

Code

English

voruciclib [INN]

Common Name

English

Voruciclib [WHO-DD]

Common Name

English

2-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)-5,7-DIHYDROXY-8-((2R,3S)-2-(HYDROXYMETHYL)-1-METHYLPYRROLIDIN-3-YL)-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2185

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL3545218

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

SMS_ID

100000181775

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

PUBCHEM

67409219

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

INN

9791

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

CAS

1000023-04-0

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

NCI_THESAURUS

C141430

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

DRUG BANK

DB15157

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

FDA UNII

W66XP666AM

Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023

PRIMARY

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