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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H23BrNO3.I
Molecular Weight 460.146
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUBROGONIUM IODIDE, (S)-

SMILES

[I-].CC[N+](C)(CC)CC[C@H](C)OC(=O)C1=CC=C(Br)O1

InChI

InChIKey=KROWHJNUJMVHNU-MERQFXBCSA-M
InChI=1S/C14H23BrNO3.HI/c1-5-16(4,6-2)10-9-11(3)18-14(17)12-7-8-13(15)19-12;/h7-8,11H,5-6,9-10H2,1-4H3;1H/q+1;/p-1/t11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H23BrNO3
Molecular Weight 333.241
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:46 UTC 2023
Edited
by admin
on Sat Dec 16 11:19:46 UTC 2023
Record UNII
GOM17857K2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUBROGONIUM IODIDE, (S)-
Common Name English
1-BUTANAMINIUM, 3-(((5-BROMO-2-FURANYL)CARBONYL)OXY)-N,N-DIETHYL-N-METHYL-, IODIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76966169
Created by admin on Sat Dec 16 11:19:46 UTC 2023 , Edited by admin on Sat Dec 16 11:19:46 UTC 2023
PRIMARY
FDA UNII
GOM17857K2
Created by admin on Sat Dec 16 11:19:46 UTC 2023 , Edited by admin on Sat Dec 16 11:19:46 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER