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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H37N7O3.3ClH
Molecular Weight 496.904
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUSPERIMUS TRIHYDROCHLORIDE, (R)-

SMILES

Cl.Cl.Cl.NCCCNCCCCNC(=O)[C@@H](O)NC(=O)CCCCCCNC(N)=N

InChI

InChIKey=AXSPHUWXYSZPBG-UFRNLTNDSA-N
InChI=1S/C17H37N7O3.3ClH/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20;;;/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23);3*1H/t16-;;;/m1.../s1

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C17H37N7O3
Molecular Weight 387.5208
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149,124
Substance Class Chemical
Record UNII
W90471621Q
Record Status Validated (UNII)
Record Version
NIH
NCATS
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