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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22INO3.ClH
Molecular Weight 463.738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25I-NBOME HYDROCHLORIDE

SMILES

Cl.COC1=CC=CC=C1CNCCC2=CC(OC)=C(I)C=C2OC

InChI

InChIKey=IPBBLNVKGLDTML-UHFFFAOYSA-N
InChI=1S/C18H22INO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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 C18H22INO3
Molecular Weight 427.2767
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

Approval Year

Substance Class Chemical
Record UNII
0V30416N51
Record Status Validated (UNII)
Record Version