CYCLOPENTAMINE HYDROXYBENZOYLBENZOATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H10O4.C9H19N
Molecular Weight	383.4807
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOPENTAMINE HYDROXYBENZOYLBENZOATE

Structure Search

SMILES

CNC(C)CC1CCCC1.OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(O)C=C3

InChI

InChIKey=FEDUGFMOJYMTGA-UHFFFAOYSA-N

InChI=1S/C14H10O4.C9H19N/c15-12-7-5-10(6-8-12)13(16)9-1-3-11(4-2-9)14(17)18;1-8(10-2)7-9-5-3-4-6-9/h1-8,15H,(H,17,18);8-10H,3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C14H10O4
Molecular Weight	242.2268
Charge	0
Count

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

Molecular Formula	C9H19N
Molecular Weight	141.2539
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 05:45:18 GMT 2023` Edited by `admin` on `Sat Dec 16 05:45:18 GMT 2023`
Record UNII	TCE6U47Y3V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOPENTAMINE HYDROXYBENZOYLBENZOATE

Common Name

English

BENZOIC ACID, 2-(4-HYDROXYBENZOYL)-, COMPD. WITH N,.ALPHA.-DIMETHYLCYCLOPENTANEETHANAMINE (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

TCE6U47Y3V

Created by admin on Sat Dec 16 05:45:18 GMT 2023 , Edited by admin on Sat Dec 16 05:45:18 GMT 2023

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CAS

74332-44-8

Created by admin on Sat Dec 16 05:45:18 GMT 2023 , Edited by admin on Sat Dec 16 05:45:18 GMT 2023

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PUBCHEM

71587269

Created by admin on Sat Dec 16 05:45:18 GMT 2023 , Edited by admin on Sat Dec 16 05:45:18 GMT 2023

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EPA CompTox

DTXSID90995850

Created by admin on Sat Dec 16 05:45:18 GMT 2023 , Edited by admin on Sat Dec 16 05:45:18 GMT 2023

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ECHA (EC/EINECS)

277-820-2

Created by admin on Sat Dec 16 05:45:18 GMT 2023 , Edited by admin on Sat Dec 16 05:45:18 GMT 2023

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