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Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O4.C4H12N2
Molecular Weight 234.2927
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-BUTANEDIAMINE ADIPATE

SMILES

NCCCCN.OC(=O)CCCCC(O)=O

InChI

InChIKey=SHPVGWLRFPFLNE-UHFFFAOYSA-N
InChI=1S/C6H10O4.C4H12N2/c7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h1-4H2,(H,7,8)(H,9,10);1-6H2

HIDE SMILES / InChI

Molecular Formula C6H10O4
Molecular Weight 146.1412
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H12N2
Molecular Weight 88.1515
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
35.0 mM [IC50]

PubMed

Substance Class Chemical
Record UNII
8N4WWW5620
Record Status Validated (UNII)
Record Version