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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 of SPHEROPHYSINE BENZOATE

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

Approval Year

Unknown
149124
Name Type Language
SPHAEROPHYSINE MONOBENZOATE
Preferred Name English
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
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 Mon Mar 31 22:57:42 GMT 2025 , Edited by admin on Mon Mar 31 22:57:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID40990512
Created by admin on Mon Mar 31 22:57:42 GMT 2025 , Edited by admin on Mon Mar 31 22:57:42 GMT 2025
PRIMARY
CAS
70293-13-9
Created by admin on Mon Mar 31 22:57:42 GMT 2025 , Edited by admin on Mon Mar 31 22:57:42 GMT 2025
PRIMARY
FDA UNII
NJ3B22YW5N
Created by admin on Mon Mar 31 22:57:42 GMT 2025 , Edited by admin on Mon Mar 31 22:57:42 GMT 2025
PRIMARY
NIH
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