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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO4
Molecular Weight 327.3743
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBOLDINE, (-)-

SMILES

COC1=CC2=C(C[C@H]3N(C)CCC4=CC(OC)=C(O)C2=C34)C=C1O

InChI

InChIKey=LINHZVMHXABQLB-CYBMUJFWSA-N
InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H21NO4
Molecular Weight 327.3743
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 Wed Apr 02 12:07:57 GMT 2025
Edited
by admin
on Wed Apr 02 12:07:57 GMT 2025
Record UNII
F7NJ47RFV4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBOLDINE, (-)-
Common Name English
(-)-ISOBOLDINE
Preferred Name English
4H-DIBENZO(DE,G)QUINOLINE-1,9-DIOL, 5,6,6A,7-TETRAHYDRO-2,10-DIMETHOXY-6-METHYL-, (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6971182
Created by admin on Wed Apr 02 12:07:58 GMT 2025 , Edited by admin on Wed Apr 02 12:07:58 GMT 2025
PRIMARY
FDA UNII
F7NJ47RFV4
Created by admin on Wed Apr 02 12:07:58 GMT 2025 , Edited by admin on Wed Apr 02 12:07:58 GMT 2025
PRIMARY
CAS
104597-61-7
Created by admin on Wed Apr 02 12:07:58 GMT 2025 , Edited by admin on Wed Apr 02 12:07:58 GMT 2025
PRIMARY