AG0034OC

485-35-8 | 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-

AG0034OC

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CAS Number	485-35-8
Catalog Number	AG0034OC(AGN-PC-0RZVKD)
Chemical Name	1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-
EC Number	207-616-0
IUPAC Name	(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
InChI	InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
InChI Key	ANJTVLIZGCUXLD-DTWKUNHWSA-N
MDL Number	MFCD00000305
Molecular Formula	C11H14N2O
Molecular Weight	190.2417
NSC Number	407282
SMILES	[C@H]12C=3N(C[C@H](CNC1)C2)C(C=CC3)=O
UNII	53S5U404NU
Synonyms	3-hydroxy-11-norcytisine, citizine, cystisin, cytisine, cytisine dihydrochloride, trihydrate, cytisine hydrochloride, cytisine hydrochloride, hydrate, cytisine tetrahydrochloride, trihydrate, cytiton, Tabex, Tsitizin, CYTISINE, Sophorine, 485-35-8, Baptitoxine, (-)-Cytisine, Laburnin, Baptitoxin, Tabex, Cytiton, Ulexin, Cytitone, Tsitizin, Ulexine, Cystisine, Citizin, Cytizin, Tabax, Baphitoxine, Cytisinicline, (1R,5S)-3,4,5,6-Tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one, Cytisine (-), UNII-53S5U404NU, HSDB 3560, EINECS 207-616-0, NSC 407282, BRN 0083882, Cytisin, (1r,5s)-1,2,3,4,5,6-Hexahydro-8h-1,5-Methanopyrido[1,2-A][1,5]diazocin-8-One, CHEBI:4055, CHEMBL497939, 53S5U404NU, Cytisine, 98%, (1R,9S)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-Methano-8H-Pyrido[1,2-A][1,5]Diazocin-8-One, 1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2a][1,5]diazocin-8-one, SMR001233264, 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-, SR-01000597582, MLS003171607, Tsitafat, NSC407282, 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-, C5E, Prestwick_140, Baphitoxine,Sophorine, 6039 Sopharma, Cytisinicline [USAN], Cytisine ((+)-), Tocris-1390, AC1L1URQ, Prestwick3_000624, BSPBio_000588, Cytisine, >=99%, powder, 5-24-02-00535 (Beilstein Handbook Reference), MLS002153916, MLS002222174, SCHEMBL161398, BPBio1_000648, GTPL5347, (1R,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one, (1S,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one, (1S,9S)-3,11-Diazatricyclo[7.3.1.03,8]trideca-5,7-dien-4-one, CTK8B8646, Cytisine(Baphitoxine,-Sophorine), 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one (cytisine), ANJTVLIZGCUXLD-DTWKUNHWSA-N, Cytisine1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one, HMS2096N10, HMS2235L06, HMS3267D20, HMS3678L21, HY-N0175, TNP00030, ZINC1599730, ANW-60953, BDBM50143282, PDSP1_000461, s2287, WLN: T C666 A GVN LM&TTJ, AKOS000276818, AKOS015833102, AB03763, CCG-208621, DB09028, EBD2185019, NSC-407282, RL03801, RTX-012300, NCGC00016463-01, NCGC00016463-02, NCGC00016463-03, NCGC00016463-04, NCGC00017171-01, NCGC00025138-01, NCGC00025138-02, NCGC00179513-01, AJ-27955, AN-45226, AS-19539, CAS-485-35-8, LS-59087, AB0035681, TC-067500, TL8003259, CS-0007888, ST24033620, SW219952-1, Y0063, Cytisine, >=99.0% (HPLC), >=99%, A10266, W-6535, 485C358, SR-01000597582-1, SR-01000597582-5, SR-01000597582-6, SR-01000597582-7, BRD-K74186897-001-02-5, BRD-K74186897-001-04-1, BRD-K74186897-001-13-2, F9994-5373, Z2582785591, 1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, (1S,9R)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, 1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-, (1R,9S)-7,11-diazatricyclo[7.3.1.0(2),]trideca-2,4-dien-6-one, (1R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one, 1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R-cis)-, (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one, (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Sophorin, citizine, cystisin, Sophorin (VAN), 3-hydroxy-11-norcytisine, D08XPW, CYTISINE HYDROCHLORIDE, cytisine hydrochloride, hydrate, C11H14N2O, CID10235, cytisine dihydrochloride, trihydrate, C11-H14-N2-O, MFCD00136048, cytisine tetrahydrochloride, trihydrate, ACN-035461, Cytisine, 98% - 100MG 100mg, C004712, 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one, (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido-[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-1,5-methano-8H- pyrido(1,2-a)(1,5)diazocin-8-one, 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-, 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-, (-)-Cytisine(1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-Methano-8H-Pyrido[1,2-A][1,5]Diazocin-8-One,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	190.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.246g/mol
Monoisotopic Mass	190.111g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 1544

Certificate of Analysis

Lot Number