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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29NO5.C18H14O8
Molecular Weight 745.7683
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-METHOXYLAUDANOSINE DIBENZOYLTARTARATE, (R)-

SMILES

OC(=O)[C@H](OC(=O)C1=CC=CC=C1)[C@@H](OC(=O)C2=CC=CC=C2)C(O)=O.COC3=CC4=C(C=C3OC)[C@@H](CC5=CC(OC)=C(OC)C(OC)=C5)N(C)CC4

InChI

InChIKey=LBGVOKZBYXHODD-YVGNGXOTSA-N
InChI=1S/C22H29NO5.C18H14O8/c1-23-8-7-15-12-18(24-2)19(25-3)13-16(15)17(23)9-14-10-20(26-4)22(28-6)21(11-14)27-5;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h10-13,17H,7-9H2,1-6H3;1-10,13-14H,(H,19,20)(H,21,22)/t17-;13-,14-/m11/s1

HIDE SMILES / InChI

Molecular Formula C18H14O8
Molecular Weight 358.299
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C22H29NO5
Molecular Weight 387.4694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:54:20 GMT 2023
Edited
by admin
on Sat Dec 16 14:54:20 GMT 2023
Record UNII
B48X158IJZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5'-METHOXYLAUDANOSINE DIBENZOYLTARTARATE, (R)-
Common Name English
5'-METHOXYLAUDANOSINE DIBENZOYLTARTARATE, (-)-
Common Name English
(R)-(-)-5'-METHOXYLAUDANOSINE (-)-DIBENZOYLTARTARATE
Common Name English
(-)-(R)-1,2,3,4,-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(3,4,5-TRIMETHOXYBENZYL) ISOQUINOLINE 2,3-DI-O-BENZOYL-L-TARTRATE
Systematic Name English
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, (R)-, (R-(R*,R*))-2,3-BIS(BENZOYLOXY)BUTANEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701017079
Created by admin on Sat Dec 16 14:54:20 GMT 2023 , Edited by admin on Sat Dec 16 14:54:20 GMT 2023
PRIMARY
CAS
104832-01-1
Created by admin on Sat Dec 16 14:54:20 GMT 2023 , Edited by admin on Sat Dec 16 14:54:20 GMT 2023
PRIMARY
FDA UNII
B48X158IJZ
Created by admin on Sat Dec 16 14:54:20 GMT 2023 , Edited by admin on Sat Dec 16 14:54:20 GMT 2023
PRIMARY
PUBCHEM
127258219
Created by admin on Sat Dec 16 14:54:20 GMT 2023 , Edited by admin on Sat Dec 16 14:54:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE