AG000H2K

1159-03-1 | 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-10,11-dihydro-

AG000H2K

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CAS Number	1159-03-1
Catalog Number	AG000H2K(AGN-PC-0P8B78)
Chemical Name	5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-10,11-dihydro-
EC Number	214-594-6
IUPAC Name	2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
InChI	InChI=1S/C20H25NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,22H,7,12-15H2,1-2H3
InChI Key	ONSQUXZPOPTSQF-UHFFFAOYSA-N
MDL Number	MFCD00569159
Molecular Formula	C20H25NO
Molecular Weight	295.4186
SMILES	OC1(CCCN(C)C)C2=CC=CC=C2CCC3=CC=CC=C13
UNII	67H6DX3NOO
Synonyms	1159-03-1, Amitriptynol, 5-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol, UNII-67H6DX3NOO, EINECS 214-594-6, BRN 2148173, 67H6DX3NOO, 5-(3-DIMETHYLAMINOPROPYL)-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-OL, 5-(3-Dimethylaminopropyl)5-dibenzo(a,d)cycloheptadienol, ONSQUXZPOPTSQF-UHFFFAOYSA-N, 5-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo[a,d]cyclohepten-5-ol, 10,11-Dihydro-5-(3-dimethylaminopropyl)-5H-dibenzo(a,d)cyclohepten-5-ol, 5H-DIBENZO(a,d)CYCLOHEPTEN-5-OL, 10,11-DIHYDRO-5-(3-DIMETHYLAMINOPROPYL)-, 5-(3-Dimethylamino-propyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol, 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol, 5H-Dibenzo(a,d)cyclohepten-5-ol, 5-(3-(dimethylamino)propyl)-10,11-dihydro-, 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-10,11-dihydro-, AG-690/11629173, W-109649, 5-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo(a,d)cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol, 5H-Dibenzo[a,d]cyclohepten-5-ol,5-[3-(dimethylamino)propyl]-10,11-dihydro-, 5H-Dibenzo[a,d]cyclohepten-5-ol, 10,11-dihydro-5-(3-dimethylaminopropyl)-, Amitriptyline Impurity B, EC 214-594-6, AC1L23QP, Oprea1_247281, Oprea1_843827, CBDivE_012358, MLS000689024, CHEMBL1564657, SCHEMBL11252431, CTK4A9544, DTXSID10151214, HMS1683L02, HMS2651H03, ZINC967456, ANW-45715, CD-784, SBB066165, STK192083, AKOS000512692, AC-7643, AN-8798, LS40423, MCULE-5756827617, VZ29896, NCGC00245055-01, AJ-24504, AK-56324, BAS 00269717, LS-60806, SMR000286249, AX8100830, TC-134460, FT-0659412, ST24032865, V0908, 159D031, I06-0749, 5-(3-Dimethylaminopropyl)-10,11-2Hdibenzo[a,d]cyclohepten-5-ol, 11-[3-(dimethylamino)propyl]-5,6,11-trihydrodibenzo[a,d][7]annulen-11-ol, 11-[3-(dimethylamino)propyl]-5,6-dihydrodibenzo[1,2-a:1\',2\'-e][7]annulen-11-ol, 11-[3-(dimethylamino)propyl]-5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-ol, 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo-[a,d]cyclohepten-5-ol, 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol #, 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.0^{3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol, C20H25NO, C20-H25-N-O, CID14390, NSC269607, 5-(3-Dimethylaminopropyl)-10,11-dihydrodibenzo[a,d]cyclohept en-5-ol,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.194g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	295.426g/mol
Monoisotopic Mass	295.194g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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