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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24INO
Molecular Weight 409.3044
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MCL-118

SMILES

[H][C@@]12CCCC[C@@]13CCN(C\C=C\I)[C@@H]2CC4=CC=C(O)C=C34

InChI

InChIKey=CKWFFFJMRMTZCA-IRFHKHDISA-N
InChI=1S/C19H24INO/c20-9-3-10-21-11-8-19-7-2-1-4-16(19)18(21)12-14-5-6-15(22)13-17(14)19/h3,5-6,9,13,16,18,22H,1-2,4,7-8,10-12H2/b9-3+/t16-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H24INO
Molecular Weight 409.3044
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:29:53 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:53 GMT 2023
Record UNII
A7FW83XK6Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MCL-118
Code English
17-((2E)-3-IODO-2-PROPEN-1-YL)MORPHINAN-3-OL
Systematic Name English
MCL118
Code English
MORPHINAN-3-OL, 17-((2E)-3-IODO-2-PROPENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
87979099
Created by admin on Sat Dec 16 09:29:53 GMT 2023 , Edited by admin on Sat Dec 16 09:29:53 GMT 2023
PRIMARY
CAS
387335-63-9
Created by admin on Sat Dec 16 09:29:53 GMT 2023 , Edited by admin on Sat Dec 16 09:29:53 GMT 2023
PRIMARY
FDA UNII
A7FW83XK6Q
Created by admin on Sat Dec 16 09:29:53 GMT 2023 , Edited by admin on Sat Dec 16 09:29:53 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY