AG00BF4M

224177-60-0 | Siramesine (hydrochloride)

AG00BF4M

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CAS Number	224177-60-0
Catalog Number	AG00BF4M(AGN-PC-0QZ0W0)
Chemical Name	Siramesine (hydrochloride)
IUPAC Name	1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
InChI	InChI=1S/C30H31FN2O.ClH/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30;/h1-4,8-15,21H,5-7,16-20,22H2;1H
InChI Key	ILSRGIFRZZSGPN-UHFFFAOYSA-N
MDL Number	MFCD28144522
Molecular Formula	C30H32ClFN2O
Molecular Weight	491.0393
SMILES	Cl.FC1=CC=C(C=C1)N1C=C(C2=CC=CC=C12)CCCCN1CCC2(CC1)OCC1=CC=CC=C12
UNII	39CG1EG1SS
Synonyms	Siramesine hydrochloride, 224177-60-0, Siramesine (hydrochloride), UNII-39CG1EG1SS, Lu 28-179 hydrochloride, 39CG1EG1SS, AK201613, Siramesine HCl, Siramesine-hydrochloride, SiraMesine, Lu-28-179, Siramesine (lu-28-179), SCHEMBL7495013, KS-00000TEW, ILSRGIFRZZSGPN-UHFFFAOYSA-N, BCP27822, HY-14221A, MFCD28144522, AKOS026750245, CS-2464, AS-35113, A12479, 1'-[4-[1-(4-fluorophenyl)-1H-indole-3-yl]-1-butyl]-spiro[isobenzofuran-1(3H),4'-piperidine], hydrochloride, 1'-{4-[1-(4-fluorophenyl)-1H-indol-3-yl]butyl}-3H-spiro[2-benzofuran-1,4'-piperidine] hydrochloride, Spiro(isobenzofuran-1(3H),4'-piperidine), 1'-(4-(1-(4-fluorophenyl)-1H-indol-3-yl)butyl)-, hydrochloride (1:1), CID9891778, Lu 28-179, Lu-28-179, 1'-[4-[1-(4-Fluorophenyl)-1H-indol-3-yl]butyl]spiro[isobenzofuran-1(3H),4'-piperidine] monohydrochloride, 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-isobenzofuran-3,4'-piperidine] Hydrochloride,

Complexity	656
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	490.219g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	491.047g/mol
Monoisotopic Mass	490.219g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	17.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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