U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ACHIRAL
Molecular Formula C28H44N2O2.2BrH
Molecular Weight 602.485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of NC-758

SMILES

Br.Br.CCN(CC)CC(C)(C)C(=O)\C=C\C1=CC=C(C=C1)\C=C\C(=O)C(C)(C)CN(CC)CC

InChI

InChIKey=SFNAZJOEZQFYCY-HLVWOLMTSA-N
InChI=1S/C28H44N2O2.2BrH/c1-9-29(10-2)21-27(5,6)25(31)19-17-23-13-15-24(16-14-23)18-20-26(32)28(7,8)22-30(11-3)12-4;;/h13-20H,9-12,21-22H2,1-8H3;2*1H/b19-17+,20-18+;;

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H44N2O2
Molecular Weight 440.6612
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9K0C44112H
Record Status Validated (UNII)
Record Version