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Details

Stereochemistry EPIMERIC
Molecular Formula C28H33N3O8
Molecular Weight 539.5769
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,5a,6a,7,12,13,14,16-Octahydro-5a-hydroxy-16-(hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-oxo-7,13-imino-6H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, (6aS,7R,13S,14R,16R)-

SMILES

COCOC1=C(OC)C(C)=CC2=C1[C@@H]3[C@@H]4CC5(O)C(=O)C(C)=C6OCOC6=C5[C@H](CO)N4[C@@H](C#N)[C@H](C2)N3C

InChI

InChIKey=VFVFSWXXSOUGHC-ROWGZPKQSA-N
InChI=1S/C28H33N3O8/c1-13-6-15-7-16-18(9-29)31-17(22(30(16)3)20(15)25(23(13)36-5)37-11-35-4)8-28(34)21(19(31)10-32)26-24(38-12-39-26)14(2)27(28)33/h6,16-19,22,32,34H,7-8,10-12H2,1-5H3/t16-,17-,18-,19-,22-,28?/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5,5a,6a,7,12,13,14,16-Octahydro-5a-hydroxy-16-(hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-oxo-7,13-imino-6H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, (6aS,7R,13S,14R,16R)-
Systematic Name English
(6aS,7R,13S,14R,16R)-5,5a,6a,7,12,13,14,16-Octahydro-5a-hydroxy-16-(hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-oxo-7,13-imino-6H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile
Preferred Name English
7,13-Imino-6H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, 5,5a,6a,7,12,13,14,16-octahydro-5a-hydroxy-16-(hydroxymethyl)-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-oxo-, (6aS,7R,13S,14R,16R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
171390157
Created by admin on Wed Apr 02 19:32:45 GMT 2025 , Edited by admin on Wed Apr 02 19:32:45 GMT 2025
PRIMARY
CAS
2170373-88-1
Created by admin on Wed Apr 02 19:32:45 GMT 2025 , Edited by admin on Wed Apr 02 19:32:45 GMT 2025
PRIMARY
FDA UNII
V4J4GC5FRP
Created by admin on Wed Apr 02 19:32:45 GMT 2025 , Edited by admin on Wed Apr 02 19:32:45 GMT 2025
PRIMARY