(11bS)-2,6-Bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium] Bromide - >97.0%(HPLC), high purity , CAS No.1197922-04-5

  • ≥97%(HPLC)
Item Number
B405698
Grouped product items
SKUSizeAvailabilityPrice Qty
B405698-50mg
50mg
Available within 8-12 weeks(?)
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$1,027.90
View related series
asymmetric synthesis Azepines

Basic Description

Synonyms1197922-04-5 | (11bS)-2,6-Bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium] Bromide | [16'-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]spiro[1,4-oxazinan-4-ium-4,13'-13-azoniapen
Specifications & Purity>97.0%(HPLC)

Names and Identifiers

IUPAC Name [16'-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]spiro[1,4-oxazinan-4-ium-4,13'-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-10'-yl]-bis[3,5-bis(trifluoromethyl)phenyl]methanol;bromide
INCHI InChI=1S/C60H36F24NO3.BrH/c61-53(62,63)35-15-31(16-36(23-35)54(64,65)66)51(86,32-17-37(55(67,68)69)24-38(18-32)56(70,71)72)47-13-29-5-1-3-7-43(29)49-45(47)27-85(9-11-88-12-10-85)28-46-48(14-30-6-2-4-8-44(30)50(46)49)52(87,33-19-39(57(73,74)75)25-40(20-33)58(76,77)78)34-21-41(59(79,80)81)26-42(22-34)60(82,83)84;/h1-8,13-26,86-87H,9-12,27-28H2;1H/q+1;/p-1
InChi Key UVHZWWMJSAGSJH-UHFFFAOYSA-M
Canonical SMILES C1COCC[N+]12CC3=C(C4=CC=CC=C4C=C3C(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)(C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=C(C2)C(=CC8=CC=CC=C87)C(C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O.[Br-]
Isomeric SMILES C1COCC[N+]12CC3=C(C4=CC=CC=C4C=C3C(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)(C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=C(C2)C(=CC8=CC=CC=C87)C(C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O.[Br-]
PubChem CID 44597114
Molecular Weight 1354.82
Reaxy-Rn 20072701

Certificates

Certificate of Analysis(COA)

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Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

Precautionary Statements

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352:IF ON SKIN: wash with plenty of water.

P321:Specific treatment (see ... on this label).

P264:Wash hands [and …] thoroughly after handling.

P362+P364:Take off contaminated clothing and wash it before reuse.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

Reaxy-Rn 20072701

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