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AG009K6S

112806-33-4 | 1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-β-D-glucopyranuronosyl-N,N-dimethyl-, inner salt

Chemical structure of 1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-β-D-glucopyranuronosyl-N,N-dimethyl-, inner salt, CAS 112806-33-4
AG009K6S
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CAS Number 112806-33-4
Catalog Number AG009K6S(AGN-PC-0P3Z65)
Chemical Name 1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-β-D-glucopyranuronosyl-N,N-dimethyl-, inner salt
IUPAC Name (2S,3S,4S,5R,6R)-6-[dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
InChI InChI=1S/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22-,23+,24-,25+/m0/s1
InChI Key WXMXRAPAGYPAJI-ARXROMJUSA-N
MDL Number MFCD00870751
Molecular Formula C26H31NO6
Molecular Weight 453.5274
SMILES C(CC[N+](C)(C)[C@@H]1O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]1O)=C2C=3C(CCC=4C2=CC=CC4)=CC=CC3
Synonyms
amitriptyline N-glucuronide, amitriptyline-N-glucuronide, AT-N-Gluc, Amitriptyline N-glucuronide, AT-N-Gluc, 112806-33-4, Amitriptyline-N-glucuronide, AC1L1Y5M, AC1Q228U, J-002842, (2s,3s,4s,5r,6r)-6-{[3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ylidene)propyl](dimethyl)ammonio}-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylate(non-preferred name), 1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, hydroxide, inner salt, Amitriptyline N-beta-D-Glucuronide, CID62981, C26-H31-N-O6,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited