SPHEROPHYSINE BENZOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H22N4.C7H6O2
Molecular Weight	320.4298
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=CC=C1.CC(C)=CCN(CCCCN)C(N)=N

InChI

InChIKey=NVFSKRIYWBEURD-UHFFFAOYSA-N

InChI=1S/C10H22N4.C7H6O2/c1-9(2)5-8-14(10(12)13)7-4-3-6-11;8-7(9)6-4-2-1-3-5-6/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13);1-5H,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C10H22N4
Molecular Weight	198.3085
Charge	0
Count

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

Molecular Formula	C7H6O2
Molecular Weight	122.1213
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 `Sat Dec 16 10:00:20 GMT 2023` Edited by `admin` on `Sat Dec 16 10:00:20 GMT 2023`
Record UNII	NJ3B22YW5N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPHEROPHYSINE BENZOATE

Common Name

English

BENZOIC ACID, COMPD. WITH N-(4-AMINOBUTYL)-N-(3-METHYL-2-BUTENYL)GUANIDINE (1:1)

Common Name

English

GUANIDINE, N-(4-AMINOBUTYL)-N-(3-METHYL-2-BUTEN-1-YL)-, BENZOATE (1:1)

Systematic Name

English

SPHAEROPHYSINE MONOBENZOATE

Common Name

English

1-(4-AMINOBUTYL)-1-(3-METHYLBUTAN-2-YL)GUANIDINE,BENZOIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

85975190

Created by admin on Sat Dec 16 10:00:20 GMT 2023 , Edited by admin on Sat Dec 16 10:00:20 GMT 2023

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EPA CompTox

DTXSID40990512

Created by admin on Sat Dec 16 10:00:20 GMT 2023 , Edited by admin on Sat Dec 16 10:00:20 GMT 2023

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CAS

70293-13-9

Created by admin on Sat Dec 16 10:00:20 GMT 2023 , Edited by admin on Sat Dec 16 10:00:20 GMT 2023

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FDA UNII

NJ3B22YW5N

Created by admin on Sat Dec 16 10:00:20 GMT 2023 , Edited by admin on Sat Dec 16 10:00:20 GMT 2023

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