PX-478 FREE BASE

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H18Cl2N2O3
Molecular Weight	321.2
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PX-478 FREE BASE

Structure Search

SMILES

N[C@@H](CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl)C(O)=O

InChI

InChIKey=GSKQMLGAUOTSKT-LBPRGKRZSA-N

InChI=1S/C13H18Cl2N2O3/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H18Cl2N2O3
Molecular Weight	321.2
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:11:29 UTC 2023` Edited by `admin` on `Sat Dec 16 03:11:29 UTC 2023`
Record UNII	55OBY93SEP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PX-478 FREE BASE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C274

Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023

Code System Code Type Description

PUBCHEM

11234795

Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023

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FDA UNII

55OBY93SEP

Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023

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CAS

685847-78-3

Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023

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EPA CompTox

DTXSID40218687

Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023

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NCI_THESAURUS

C137838

Created by admin on Sat Dec 16 03:11:29 UTC 2023 , Edited by admin on Sat Dec 16 03:11:29 UTC 2023

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