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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3.BrH
Molecular Weight 392.287
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4H-DIBENZO(DE,G)QUINOLINE-2,10,11-TRIOL, 5,6,6A,7-TETRAHYDRO-6-PROPYL-, HYDROBROMIDE (1:1), (6AS)-

SMILES

Br.[H][C@@]12CC3=CC=C(O)C(O)=C3C4=CC(O)=CC(CCN1CCC)=C24

InChI

InChIKey=KIAIFHTWTMKEDI-RSAXXLAASA-N
InChI=1S/C19H21NO3.BrH/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14;/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3;1H/t15-;/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 C19H21NO3
Molecular Weight 311.3749
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 Sat Dec 16 18:33:58 GMT 2023
Edited
by admin
on Sat Dec 16 18:33:58 GMT 2023
Record UNII
Y9LP5C2RPG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-DIBENZO(DE,G)QUINOLINE-2,10,11-TRIOL, 5,6,6A,7-TETRAHYDRO-6-PROPYL-, HYDROBROMIDE (1:1), (6AS)-
Systematic Name English
Code System Code Type Description
FDA UNII
Y9LP5C2RPG
Created by admin on Sat Dec 16 18:33:58 GMT 2023 , Edited by admin on Sat Dec 16 18:33:58 GMT 2023
PRIMARY
CAS
1217446-50-8
Created by admin on Sat Dec 16 18:33:58 GMT 2023 , Edited by admin on Sat Dec 16 18:33:58 GMT 2023
PRIMARY
PUBCHEM
155804616
Created by admin on Sat Dec 16 18:33:58 GMT 2023 , Edited by admin on Sat Dec 16 18:33:58 GMT 2023
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> SALT/SOLVATE