VK-2809

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32ClO5P
Molecular Weight	514.977
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=CC(CC2=C(C)C=C(OC[P@@]3(=O)OCC[C@H](O3)C4=CC=CC(Cl)=C4)C=C2C)=CC=C1O

InChI

InChIKey=LGGPZDRLTDGYSQ-JADSYQMUSA-N

InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H32ClO5P
Molecular Weight	514.977
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 03:06:01 UTC 2023` Edited by `admin` on `Sat Dec 16 03:06:01 UTC 2023`
Record UNII	3Z11398FNQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VK-2809

Code

English

VK2809

Code

English

PHENOL, 4-((4-(((2R,4S)-4-(3-CHLOROPHENYL)-2-OXIDO-1,3,2-DIOXAPHOSPHORINAN-2-YL)METHOXY)-2,6-DIMETHYLPHENYL)METHYL)-2-(1-METHYLETHYL)-

Systematic Name

English

MB07811

Code

English

MB-07811

Code

English

(2R,4S)-4-(3-CHLOROPHENYL)-2-((3,5-DIMETHYL-4-(4-HYDROXY-3-ISOPROPYLBENZYL)PHENOXY)METHYL)-2-OXIDO-(1,3,2)-DIOXAPHOSPHONANE

Systematic Name

English

Code System Code Type Description

CAS

852948-13-1

Created by admin on Sat Dec 16 03:06:01 UTC 2023 , Edited by admin on Sat Dec 16 03:06:01 UTC 2023

PRIMARY

SMS_ID

300000015361

Created by admin on Sat Dec 16 03:06:02 UTC 2023 , Edited by admin on Sat Dec 16 03:06:02 UTC 2023

PRIMARY

DRUG BANK

DB05192

Created by admin on Sat Dec 16 03:06:01 UTC 2023 , Edited by admin on Sat Dec 16 03:06:01 UTC 2023

PRIMARY

FDA UNII

3Z11398FNQ

Created by admin on Sat Dec 16 03:06:02 UTC 2023 , Edited by admin on Sat Dec 16 03:06:02 UTC 2023

PRIMARY

ChEMBL

CHEMBL457748

Created by admin on Sat Dec 16 03:06:01 UTC 2023 , Edited by admin on Sat Dec 16 03:06:01 UTC 2023

PRIMARY

PUBCHEM

15942005

Created by admin on Sat Dec 16 03:06:02 UTC 2023 , Edited by admin on Sat Dec 16 03:06:02 UTC 2023

PRIMARY

EPA CompTox

DTXSID501005783

Created by admin on Sat Dec 16 03:06:02 UTC 2023 , Edited by admin on Sat Dec 16 03:06:02 UTC 2023

PRIMARY

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