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Details

Stereochemistry RACEMIC
Molecular Formula C20H19N.ClH
Molecular Weight 309.833
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-7925476

SMILES

Cl.[H][C@]12CCCN1C[C@@H](C3=CC=C(C=C3)C#C)C4=CC=CC=C24

InChI

InChIKey=GXNNAZBBJFEWBN-CMXBXVFLSA-N
InChI=1S/C20H19N.ClH/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19;/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2;1H/t19-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H19N
Molecular Weight 273.3716
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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 Thu Jul 06 15:24:37 UTC 2023
Edited
by admin
on Thu Jul 06 15:24:37 UTC 2023
Record UNII
IQ02SF57WP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-7925476
Common Name English
PYRROLO(2,1-A)ISOQUINOLINE, 6-(4-ETHYNYLPHENYL)-1,2,3,5,6,10B-HEXAHYDRO-, HYDROCHLORIDE (1:1), (6R,10BS)-REL-
Systematic Name English
PYRROLO(2,1-A)ISOQUINOLINE, 6-(4-ETHYNYLPHENYL)-1,2,3,5,6,10B-HEXAHYDRO-, HYDROCHLORIDE, TRANS-
Systematic Name English
Code System Code Type Description
FDA UNII
IQ02SF57WP
Created by admin on Thu Jul 06 15:24:37 UTC 2023 , Edited by admin on Thu Jul 06 15:24:37 UTC 2023
PRIMARY
PUBCHEM
13903190
Created by admin on Thu Jul 06 15:24:37 UTC 2023 , Edited by admin on Thu Jul 06 15:24:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID201028766
Created by admin on Thu Jul 06 15:24:37 UTC 2023 , Edited by admin on Thu Jul 06 15:24:37 UTC 2023
PRIMARY
CAS
109085-56-5
Created by admin on Thu Jul 06 15:24:37 UTC 2023 , Edited by admin on Thu Jul 06 15:24:37 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY