Pocenbrodib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32FN3O6
Molecular Weight	525.5686
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=NOUKMOKAEKAWKS-FSEQIFNCSA-N

InChI=1S/C28H32FN3O6/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)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:39:49 UTC 2023` Edited by `admin` on `Sat Dec 16 15:39:49 UTC 2023`
Record UNII	EI2N46W53Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pocenbrodib

Official Name

English

pocenbrodib [INN]

Common 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

Systematic 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, (7S)-

Systematic Name

English

6-Methyl (7S)-3-[(1R,3R)-3-carboxycyclohexyl]-2-[(R)-(5-fluoro-2-methoxyphenyl)hydroxymethyl]-3,7,8,9-tetrahydro-7-methyl-6H-imidazo[4,5-f]quinoline-6-carboxylate

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C199092