ARGININE BUTYRATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C6H14N4O2.4C4H8O2
Molecular Weight	875.0234
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ARGININE BUTYRATE

Structure Search

SMILES

CCCC(O)=O.CCCC(O)=O.CCCC(O)=O.CCCC(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=ZVEMACCDKBQNGX-KALODSIISA-N

InChI=1S/3C6H14N4O2.4C4H8O2/c3*7-4(5(11)12)2-1-3-10-6(8)9;4*1-2-3-4(5)6/h3*4H,1-3,7H2,(H,11,12)(H4,8,9,10);4*2-3H2,1H3,(H,5,6)/t3*4-;;;;/m000..../s1

HIDE SMILES / InChI

Molecular Formula	C6H14N4O2
Molecular Weight	174.201
Charge	0
Count

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

Molecular Formula	C4H8O2
Molecular Weight	88.1051
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:49 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:49 UTC 2023`
Record UNII	IK8S1P79MU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARGININE BUTYRATE

Common Name

English

VX-105

Common Name

English

HQK-1004

Code

English

L-ARGININE, BUTANOATE (3:4)

Common Name

English

Arginine butanoate [WHO-DD]

Common Name

English

VX 105

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

82094

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

NCI_THESAURUS

C2139

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

FDA ORPHAN DRUG

928222

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

FDA ORPHAN DRUG

66292

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

Code System Code Type Description

FDA UNII

IK8S1P79MU

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID60942437

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

PRIMARY

PUBCHEM

23622962

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

PRIMARY

SMS_ID

300000014701

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

PRIMARY

CAS

80407-72-3

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

PRIMARY

MESH

C033018

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

PRIMARY

NCI_THESAURUS

C2570

Created by admin on Fri Dec 15 15:48:49 UTC 2023 , Edited by admin on Fri Dec 15 15:48:49 UTC 2023

PRIMARY

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