2-(3-BENZOYLPHENYL)PROPIONITRILE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H13NO
Molecular Weight	235.2805
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3-BENZOYLPHENYL)PROPIONITRILE

Structure Search

SMILES

CC(C#N)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChIKey=RGYOCHMZSLUCNP-UHFFFAOYSA-N

InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

HIDE SMILES / InChI

Molecular Formula	C16H13NO
Molecular Weight	235.2805
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:55:45 UTC 2023` Edited by `admin` on `Sat Dec 16 04:55:45 UTC 2023`
Record UNII	T1XT2245YV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(3-BENZOYLPHENYL)PROPIONITRILE

Systematic Name

English

KETOPROFEN IMPURITY F [EP IMPURITY]

Common Name

English

KETOPROFEN RELATED COMPOUND F

Common Name

English

KETOPROFEN RELATED COMPOUND F [USP-RS]

Common Name

English

2-(3-BENZOYLPHENYL)PROPANENITRILE

Systematic Name

English

BENZENEACETONITRILE, 3-BENZOYL-.ALPHA.-METHYL-

Systematic Name

English

2-(M-BENZOYLPHENYL)PROPIONITRILE

Systematic Name

English

2-(3-BENZOYLPHENYL)PROPIONITRILE, (±)-

Systematic Name

English

Code System Code Type Description

FDA UNII

T1XT2245YV

Created by admin on Sat Dec 16 04:55:45 UTC 2023 , Edited by admin on Sat Dec 16 04:55:45 UTC 2023

PRIMARY

ECHA (EC/EINECS)

255-982-5

Created by admin on Sat Dec 16 04:55:45 UTC 2023 , Edited by admin on Sat Dec 16 04:55:45 UTC 2023

PRIMARY

PUBCHEM

39325

Created by admin on Sat Dec 16 04:55:45 UTC 2023 , Edited by admin on Sat Dec 16 04:55:45 UTC 2023

PRIMARY

RS_ITEM_NUM

1356585

Created by admin on Sat Dec 16 04:55:45 UTC 2023 , Edited by admin on Sat Dec 16 04:55:45 UTC 2023

PRIMARY

CAS

42872-30-0

Created by admin on Sat Dec 16 04:55:45 UTC 2023 , Edited by admin on Sat Dec 16 04:55:45 UTC 2023

PRIMARY

EPA CompTox

DTXSID20962752

Created by admin on Sat Dec 16 04:55:45 UTC 2023 , Edited by admin on Sat Dec 16 04:55:45 UTC 2023

PRIMARY

Related Record Type Details


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