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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H34O2.C12H26N4O6
Molecular Weight 604.8194
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NEAMINE OLEATE

SMILES

CCCCCCCC\C=C/CCCCCCCC(O)=O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

InChI

InChIKey=DZJNRUAMSDNLDC-AWCLPILZSA-N
InChI=1S/C18H34O2.C12H26N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-12,17-20H,1-2,13-16H2/b10-9-;/t;3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m.1/s1

HIDE SMILES / InChI

Molecular Formula C18H34O2
Molecular Weight 282.4614
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C12H26N4O6
Molecular Weight 322.358
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
0S0TGD9Q4H
Record Status Validated (UNII)
Record Version