PYRENE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H10
Molecular Weight	202.2506
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PYRENE

Structure Search

SMILES

C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1

InChI

InChIKey=BBEAQIROQSPTKN-UHFFFAOYSA-N

InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

HIDE SMILES / InChI

Molecular Formula	C16H10
Molecular Weight	202.2506
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 15:06:24 UTC 2023` Edited by `admin` on `Fri Dec 15 15:06:24 UTC 2023`
Record UNII	9E0T7WFW93
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PYRENE

Systematic Name

English

NSC-17534

Code

English

PYRENE [HSDB]

Common Name

English

PYRENE [IARC]

Common Name

English

PYRENE [MI]

Common Name

English

NSC-66449

Code

English

BENZO(DEF)PHENANTHRENE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1915

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

Code System Code Type Description

CAS

129-00-0

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

PRIMARY

CHEBI

39106

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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NSC

66449

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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FDA UNII

9E0T7WFW93

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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WIKIPEDIA

PYRENE

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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EPA CompTox

DTXSID3024289

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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MESH

C030984

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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NCI_THESAURUS

C1209

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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HSDB

4023

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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NSC

17534

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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PUBCHEM

31423

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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ECHA (EC/EINECS)

204-927-3

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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MERCK INDEX

m9344

Created by admin on Fri Dec 15 15:06:24 UTC 2023 , Edited by admin on Fri Dec 15 15:06:24 UTC 2023

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Merck Index

Related Record Type Details


					N2H6O5V707

1-HYDROXYPYRENE

METABOLITE -> PARENT

Amount: