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AG00ECEW

Name: Vreaframine
Brand: Angene Chemical
SKU: AG00ECEW

60-70-8 | Vreaframine

Chemical structure of Vreaframine, CAS 60-70-8

AG00ECEW

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CAS Number	60-70-8
Catalog Number	AG00ECEW(AGN-PC-0SXDNG)
Chemical Name	Vreaframine
IUPAC Name	(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
InChI	InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
InChI Key	MALFODICFSIXPO-KFKQDBFTSA-N
MDL Number	MFCD00468124
Molecular Formula	C27H39NO2
Molecular Weight	409.6041
SMILES	C[C@@]12[C@@]3([C@](C=4C(C3)=C(C)C([C@H](C)[C@]5([C@H](O)C[C@H](C)CN5)[H])=CC4)(CC=C1C[C@@H](O)CC2)[H])[H]
UNII	RK363YG315
Synonyms	5-methyl-2-(1-(2,3,4,6,6a,11,11a,11b-octahydro- 3-hydroxy-10,11b-dimethyl-1H-benzo(a)fluoren-9- yl)ethyl)piperidin-3-ol, veratramin, veratramine, VERATRAMINE, 60-70-8, NSC 17821, NSC 23880, UNII-RK363YG315, HSDB 3545, NSC17821, NSC23880, BRN 0055515, CHEBI:9951, (3beta,23beta)-14,15,16,17-Tetradehydroveratraman-3,23-diol, RK363YG315, Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3-beta,23-beta)-, (3beta,23R)-14,15,16,17-tetradehydroveratraman-3,23-diol, Veratraman-3, 14,15,16,17-tetradehydro-, (3.beta.,23.beta.)-, WLN: L D6 B566 LU&TTTJ A1 E1 OQ FY1&- BT6MTJ CQ E1, NSC-23880, AC1L1LQI, 5-21-05-00297 (Beilstein Handbook Reference), SCHEMBL335680, CHEMBL464724, HY-N0837, ZINC3875407, BDBM50396007, MFCD00468124, NSC-17821, AKOS030526858, NSC17821;NSC23880, CS-3005, BCP0726000092, LS-162032, X0088, C10829, (3\|A,23\|A)-14,15,16,17-Teradehydroveratraman-3,23-diol, Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3beta,23beta)-, Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3beta,23beta)- (9CI), (2S,3R,5S)-2-((S)-1-((3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-2,3,4,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluoren-9-yl)ethyl)-5-methylpiperidin-3-ol, (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methyl-piperidin-3-ol, (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol, 3-Piperidinol,5-methyl-2-[(1S)-1-[(3S,6aR,11aS,11bR)-2,3,4,6,6a,11,11a,11b-octahydro-3-hydroxy-10,11b-dimethyl-1H-benzo[a]fluoren-9-yl]ethyl]-,(2S,3R,5S)-, C27H39NO2, CID6070, C27-H39-N-O2, ACN-035849, V0148, 14,15,16,17-Tetradehydroveratraman-3,23-diol, (3-beta,23-beta)-14,15,16,17-Tetradehydroveratraman-3,23-diol,

Complexity	676
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	409.298g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	409.614g/mol
Monoisotopic Mass	409.298g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited