PETUNIDIN CHLORIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H13O7.Cl
Molecular Weight	352.723
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PETUNIDIN CHLORIDE

Structure Search

SMILES

[Cl-].COC1=C(O)C(O)=CC(=C1)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2

InChI

InChIKey=QULMBDNPZCFSPR-UHFFFAOYSA-N

InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C16H12O7
Molecular Weight	316.2623
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:51:42 UTC 2023` Edited by `admin` on `Fri Dec 15 17:51:42 UTC 2023`
Record UNII	WRK4Q8K2D8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PETUNIDIN CHLORIDE

Common Name

English

PETUNIDIN

Common Name

English

PETUNIDOL

Common Name

English

PETUNIDIN [MI]

Common Name

English

2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-3,5,7-TRIHYDROXY-1-BENZOPYRYLIUM CHLORIDE

Systematic Name

English

3,3',4',5,7-PENTAHYDROXY-5'-METHOXYFLAVYLIUM CHLORIDE

Systematic Name

English

NSC-11907

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C68444

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

Code System Code Type Description

CHEBI

75318

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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PUBCHEM

73386

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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MERCK INDEX

m8575

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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Merck Index

CAS

1429-30-7

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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NSC

11907

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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EPA CompTox

DTXSID90931677

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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ECHA (EC/EINECS)

215-849-4

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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NCI_THESAURUS

C68449

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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WIKIPEDIA

PETUNIDIN

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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MESH

C473206

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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CHEBI

75035

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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FDA UNII

WRK4Q8K2D8

Created by admin on Fri Dec 15 17:51:42 UTC 2023 , Edited by admin on Fri Dec 15 17:51:42 UTC 2023

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