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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19NO2.BrH
Molecular Weight 386.282
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CKD-712 HYDROBROMIDE

SMILES

Br.OC1=C(O)C=C2[C@H](CC3=CC=CC4=C3C=CC=C4)NCCC2=C1

InChI

InChIKey=JXFRKNGQHAAJKY-FERBBOLQSA-N
InChI=1S/C20H19NO2.BrH/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14;/h1-7,11-12,18,21-23H,8-10H2;1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H19NO2
Molecular Weight 305.3704
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P09601
Gene ID: 3162.0
Gene Symbol: HMOX1
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:53:06 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:06 GMT 2023
Record UNII
S2KL1B0KXS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CKD-712 HYDROBROMIDE
Common Name English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(1-NAPHTHALENYLMETHYL)-, HYDROBROMIDE (1:1), (1S)-
Systematic Name English
(1S)-1-(1-NAPHTHYLMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6,7-DIOL HYDROBROMIDE
Systematic Name English
Code System Code Type Description
CAS
626252-74-2
Created by admin on Sat Dec 16 11:53:06 GMT 2023 , Edited by admin on Sat Dec 16 11:53:06 GMT 2023
PRIMARY
FDA UNII
S2KL1B0KXS
Created by admin on Sat Dec 16 11:53:06 GMT 2023 , Edited by admin on Sat Dec 16 11:53:06 GMT 2023
PRIMARY
PUBCHEM
68974698
Created by admin on Sat Dec 16 11:53:06 GMT 2023 , Edited by admin on Sat Dec 16 11:53:06 GMT 2023
PRIMARY
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