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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H26N4O6.C11H20O2
Molecular Weight 506.6333
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEAMINE UNDECYLENATE

SMILES

OC(=O)CCCCCCCCC=C.[H][C@]2(O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N

InChI

InChIKey=ZHIKHAVOCHJPNC-SQAHNGQVSA-N
InChI=1S/C12H26N4O6.C11H20O2/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20;1-2-3-4-5-6-7-8-9-10-11(12)13/h3-12,17-20H,1-2,13-16H2;2H,1,3-10H2,(H,12,13)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C11H20O2
Molecular Weight 184.2753
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

PubMed

Substance Class Chemical
Record UNII
QUB93X3HNB
Record Status Validated (UNII)
Record Version