N-Cyclohexylsulfamate;1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one

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Catalog Number
ACM23901271
Product Name
N-Cyclohexylsulfamate;1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one
Structure
Structure
CAS
23901-27-1
Category
Heterocyclic Organic Compound
Synonyms
AC1L1N28, LS-48393, 23901-27-1, Butyrophenone, 4-fluoro-4-(9-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, cyclohexanesulfamate, N-cyclohexylsulfamate; 1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one
IUPAC Name
N-cyclohexylsulfamate;1-(4-fluorophenyl)-4-(9-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one
Molecular Weight
559.693 g/mol
Molecular Formula
C29H38FN3O5S
Canonical SMILES
COC1=CC2=C(C=C1)NC3=C2CC[NH+](CC3)CCCC(=O)C4=CC=C(C=C4)F.C1CCC(CC1)NS(=O)(=O)[O-]
InChI Key
JIBMPRDHZSYKNI-UHFFFAOYSA-N
Boiling Point
579.9ºC at 760 mmHg
Flash Point
304.5ºC
Exact Mass
559.25200
H-Bond Acceptor
7
H-Bond Donor
3
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