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Details

Stereochemistry RACEMIC
Molecular Formula C43H56N2O8
Molecular Weight 728.9133
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 2
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of 1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIO)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM

SMILES

COC1=CC=C(CC2C3=C(CC[N+]2(C)C)C=C(OC)C(OC)=C3)C=C1OC4=C(CC5C6=C(CC[N+]5(C)C)C=C(OC)C(OC)=C6)C=C(OC)C(OC)=C4

InChI

InChIKey=XCLBDNOYLJKGLS-UHFFFAOYSA-N
InChI=1S/C43H56N2O8/c1-44(2)16-14-28-21-37(47-6)40(50-9)24-31(28)33(44)18-27-12-13-35(46-5)43(19-27)53-36-26-42(52-11)39(49-8)23-30(36)20-34-32-25-41(51-10)38(48-7)22-29(32)15-17-45(34,3)4/h12-13,19,21-26,33-34H,14-18,20H2,1-11H3/q+2

HIDE SMILES / InChI

Molecular Formula C43H56N2O8
Molecular Weight 728.9133
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:18:48 GMT 2023
Edited
by admin
on Sat Dec 16 13:18:48 GMT 2023
Record UNII
44R6QU5TL8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIO)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM
Common Name English
ISOQUINOLINIUM, 1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIUM-1-YL)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL-
Common Name English
ISOQUINOLINIUM, 1-((4,5-DIMETHOXY-2-(2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYLISOQUINOLINIO)METHYL)PHENOXY)PHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2,2-DIMETHYL-
Common Name English
Code System Code Type Description
PUBCHEM
429081
Created by admin on Sat Dec 16 13:18:48 GMT 2023 , Edited by admin on Sat Dec 16 13:18:48 GMT 2023
PRIMARY
CAS
778520-41-5
Created by admin on Sat Dec 16 13:18:48 GMT 2023 , Edited by admin on Sat Dec 16 13:18:48 GMT 2023
PRIMARY
FDA UNII
44R6QU5TL8
Created by admin on Sat Dec 16 13:18:48 GMT 2023 , Edited by admin on Sat Dec 16 13:18:48 GMT 2023
PRIMARY