Pocenbrodib hydrochloride

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 Search

SMILES

Cl.COC(=O)N1[C@@H](C)CCC2=C1C=CC3=C2N=C([C@H](O)C4=CC(F)=CC=C4OC)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 `Wed Apr 02 05:46:58 GMT 2025` Edited by `admin` on `Wed Apr 02 05:46:58 GMT 2025`
Record UNII	A6S8NZA9XI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pocenbrodib hydrochloride

Official Name

English

FT-7051 hydrochloride

Preferred Name

English

(1R,3R)-3-{(7S)-2-[(R)-(5-fluoro-2-methoxyphenyl)(hydroxy)methyl]-6-(methoxycarbonyl)-7-methyl-6,7,8,9-tetrahydro-3H-imidazo[4,5-f]quinolin-3-yl}cyclohexane-1-carboxylic acid hydrochloride

Systematic Name

English

POCENBRODIB HYDROCHLORIDE [USAN]

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

NCI_THESAURUS

C211754