MUSK XYLENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15N3O6
Molecular Weight	297.264
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C(=C(C(C)=C1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O

InChI

InChIKey=XMWRWTSZNLOZFN-UHFFFAOYSA-N

InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3

HIDE SMILES / InChI

Molecular Formula	C12H15N3O6
Molecular Weight	297.264
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Characterization of the effects of musk ketone on mouse hepatic cytochrome P450 enzymes.	1997 Dec	9441723
Induction of mouse cytochrome P450 2B enzymes by amine metabolites of musk xylene: contribution of microsomal enzyme induction to the hepatocarcinogenicity of musk xylene.	1997 Nov	9397191
Synthetic musk toxicity to early life stages of zebrafish (Danio rerio).	2004 Jan	15025169
Time-dependent modulation of cyp1a gene transcription and EROD activity by musk xylene in PLHC-1 and RTG-2 fish cell lines.	2011 Dec	21645612

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:19:30 GMT 2023` Edited by `admin` on `Fri Dec 15 17:19:30 GMT 2023`
Record UNII	1ZAO16GU5K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MUSK XYLENE

Common Name

English

M-XYLENE, 5-TERT-BUTYL-2,4,6-TRINITRO-

Systematic Name

English

MUSK XYLENE [IARC]

Common Name

English

Musk xylene [WHO-DD]

Common Name

English

5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE

Systematic Name

English

2,4,6-TRINITRO-3,5-DIMETHYL-1-TERT-BUTYLBENZENE

Systematic Name

English

XYLENE MUSK

Common Name

English

BENZENE, 1-(1,1-DIMETHYLETHYL)-3,5-DIMETHYL-2,4,6-TRINITRO-

Systematic Name

English

1-(1,1-DIMETHYLETHYL)-3,5-DIMETHYL-2,4,6-TRINITROBENZENE

Systematic Name

English

BENZENE, 1-TERT-BUTYL-3,5-DIMETHYL-2,4,6-TRINITRO-

Systematic Name

English

5-TERT-BUTYL-2,4,6-TRINITROXYLENE

Systematic Name

English

MUSK XYLOL

Common Name

English

NSC-59844

Code

English

MUSK XYLENE [HSDB]

Common Name

English

2,4,6-TRINITRO-1,3-DIMETHYL-5-TERT-BUTYLBENZENE

Systematic Name

English

MOSCHUS XYLOL

Common Name

English

2,4,6-TRINITRO-5-TERT-BUTYL-M-XYLENE

Systematic Name

English

Code System Code Type Description

MESH

C031447

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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CHEBI

77320

Created by admin on Fri Dec 15 17:19:30 GMT 2023 , Edited by admin on Fri Dec 15 17:19:30 GMT 2023

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HSDB

7692

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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PUBCHEM

62329

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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ECHA (EC/EINECS)

201-329-4

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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CAS

81-15-2

Created by admin on Fri Dec 15 17:19:30 GMT 2023 , Edited by admin on Fri Dec 15 17:19:30 GMT 2023

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RXCUI

1921875

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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DAILYMED

1ZAO16GU5K

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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FDA UNII

1ZAO16GU5K

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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NSC

59844

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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EPA CompTox

DTXSID1021405

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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WIKIPEDIA

MUSK XYLENE

Created by admin on Fri Dec 15 17:19:31 GMT 2023 , Edited by admin on Fri Dec 15 17:19:31 GMT 2023

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