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Details

Stereochemistry ACHIRAL
Molecular Formula C49H58N6O2.4I
Molecular Weight 1270.6417
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of YOYO-1

SMILES

[I-].[I-].[I-].[I-].CN1\C(OC2=CC=CC=C12)=C\C3=CC=[N+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[N+]4=CC=C(\C=C5\OC6=C(C=CC=C6)N5C)C7=CC=CC=C47)C8=CC=CC=C38

InChI

InChIKey=GRRMZXFOOGQMFA-UHFFFAOYSA-J
InChI=1S/C49H58N6O2.4HI/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49;;;;/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3;4*1H/q+4;;;;/p-4

HIDE SMILES / InChI

Molecular Formula C49H58N6O2
Molecular Weight 763.0238
Charge 4
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
MOL RATIO 4 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
1B34829IG0
Record Status Validated (UNII)
Record Version