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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32FN3O6.ClH
Molecular Weight 562.03
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pocenbrodib hydrochloride

SMILES

Cl.COC(=O)N1[C@@H](C)CCC2=C1C=CC3=C2N=C([C@H](O)C4=C(OC)C=CC(F)=C4)N3[C@@H]5CCC[C@H](C5)C(O)=O

InChI

InChIKey=NTLPANHXUUXPRV-OGPJMFKSSA-N
InChI=1S/C28H32FN3O6.ClH/c1-15-7-9-19-21(31(15)28(36)38-3)10-11-22-24(19)30-26(25(33)20-14-17(29)8-12-23(20)37-2)32(22)18-6-4-5-16(13-18)27(34)35;/h8,10-12,14-16,18,25,33H,4-7,9,13H2,1-3H3,(H,34,35);1H/t15-,16+,18+,25+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C28H32FN3O6
Molecular Weight 525.5686
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
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 Sat Dec 16 15:32:04 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:04 GMT 2023
Record UNII
A6S8NZA9XI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pocenbrodib hydrochloride
Common Name English
6H-Imidazo[4,5-f]quinoline-6-carboxylic acid, 3-[(1R,3R)-3-carboxycyclohexyl]-2-[(R)-(5-fluoro-2-methoxyphenyl)hydroxymethyl]-3,7,8,9-tetrahydro-7-methyl-, 6-methyl ester, hydrochloride (1:1), (7S)-
Systematic Name English
Code System Code Type Description
CAS
2489849-87-6
Created by admin on Sat Dec 16 15:32:04 GMT 2023 , Edited by admin on Sat Dec 16 15:32:04 GMT 2023
PRIMARY
PUBCHEM
164710642
Created by admin on Sat Dec 16 15:32:04 GMT 2023 , Edited by admin on Sat Dec 16 15:32:04 GMT 2023
PRIMARY
FDA UNII
A6S8NZA9XI
Created by admin on Sat Dec 16 15:32:04 GMT 2023 , Edited by admin on Sat Dec 16 15:32:04 GMT 2023
PRIMARY
CAS
2765338-05-2
Created by admin on Sat Dec 16 15:32:04 GMT 2023 , Edited by admin on Sat Dec 16 15:32:04 GMT 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
ACTIVE MOIETY