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Details

Stereochemistry RACEMIC
Molecular Formula C22H34NO4.I
Molecular Weight 503.4141
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FURETHIDINE METHYLIODIDE

SMILES

[I-].CCOC(=O)C1(CC[N+](C)(CCOCC2CCCO2)CC1)C3=CC=CC=C3

InChI

InChIKey=RDGODWKMIAJRID-UHFFFAOYSA-M
InChI=1S/C22H34NO4.HI/c1-3-26-21(24)22(19-8-5-4-6-9-19)11-13-23(2,14-12-22)15-17-25-18-20-10-7-16-27-20;/h4-6,8-9,20H,3,7,10-18H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.91241
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

Molecular Formula C22H34NO4
Molecular Weight 376.5097
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
3MJW1KBQ9Z
Record Status Validated (UNII)
Record Version