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Details

Stereochemistry RACEMIC
Molecular Formula C21H24N2O2.ClH
Molecular Weight 372.888
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-272015 hydrochloride

SMILES

Cl.COC1=CC=C(CC2NCCC3=C2NC4=CC=C(C)C=C34)C=C1OC

InChI

InChIKey=BKAZOTIBKRWLQA-UHFFFAOYSA-N
InChI=1S/C21H24N2O2.ClH/c1-13-4-6-17-16(10-13)15-8-9-22-18(21(15)23-17)11-14-5-7-19(24-2)20(12-14)25-3;/h4-7,10,12,18,22-23H,8-9,11H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C21H24N2O2
Molecular Weight 336.4275
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:53 UTC 2023
Edited
by admin
on Sat Dec 16 16:57:53 UTC 2023
Record UNII
5NV3JP3GP6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY-272015 hydrochloride
Common Name English
1H-PYRIDO(3,4-B)INDOLE, 1-((3,4-DIMETHOXYPHENYL)METHYL)-2,3,4,9-TETRAHYDRO-6-METHYL-, MONOHYDROCHLORIDE
Systematic Name English
LY-272,015
Code English
1H-Pyrido[3,4-b]indole, 1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-6-methyl-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30432996
Created by admin on Sat Dec 16 16:57:53 UTC 2023 , Edited by admin on Sat Dec 16 16:57:53 UTC 2023
PRIMARY
CAS
172895-15-7
Created by admin on Sat Dec 16 16:57:53 UTC 2023 , Edited by admin on Sat Dec 16 16:57:53 UTC 2023
PRIMARY
FDA UNII
5NV3JP3GP6
Created by admin on Sat Dec 16 16:57:53 UTC 2023 , Edited by admin on Sat Dec 16 16:57:53 UTC 2023
PRIMARY
PUBCHEM
9929423
Created by admin on Sat Dec 16 16:57:53 UTC 2023 , Edited by admin on Sat Dec 16 16:57:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
TARGET -> INHIBITOR
ANTAGONIST
PARENT -> DERIVATIVE