PRALNACASAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H29N5O7
Molecular Weight	523.5378
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PRALNACASAN

Structure Search

SMILES

CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN3N2C(=O)[C@H](CCC3=O)NC(=O)C4=C5C=CC=CC5=CC=N4

InChI

InChIKey=CXAGHAZMQSCAKJ-WAHHBDPQSA-N

InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H29N5O7
Molecular Weight	523.5378
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:56:41 UTC 2023` Edited by `admin` on `Fri Dec 15 15:56:41 UTC 2023`
Record UNII	N986NI319S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRALNACASAN

Official Name

English

PRALNACASAN [USAN]

Common Name

English

HMR-3480/VX-740

Code

English

HMR-3480

Code

English

VX-740

Code

English

HMR3480

Code

English

pralnacasan [INN]

Common Name

English

HMR3480/VX-740

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

Code System Code Type Description

MESH

C476331

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

NCI_THESAURUS

C76768

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

ChEMBL

CHEMBL437526

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

DRUG BANK

DB04875

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

PUBCHEM

153270

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

USAN

MM-50

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

INN

8149

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

SMS_ID

300000034290

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID60172873

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

CAS

192755-52-5

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

FDA UNII

N986NI319S

Created by admin on Fri Dec 15 15:56:41 UTC 2023 , Edited by admin on Fri Dec 15 15:56:41 UTC 2023

PRIMARY

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