NAVAFENTEROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H42N6O6S2
Molecular Weight	742.907
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CCCN1N=NC2=CC(CNC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)=CC=C12)[C@H]5CC[C@@H](CC5)OC(=O)C(O)(C6=CC=CS6)C7=CC=CS7

InChI

InChIKey=ZNKWRAKPQQZLNX-ZDQHWEPJSA-N

InChI=1S/C38H42N6O6S2/c1-43(25-8-10-26(11-9-25)50-37(48)38(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-44-30-14-7-24(21-29(30)41-42-44)22-39-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)40-36/h2-3,5-7,12-16,19-21,25-26,32,39,45-46,49H,4,8-11,17-18,22-23H2,1H3,(H,40,47)/t25-,26-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H42N6O6S2
Molecular Weight	742.907
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:21:41 UTC 2023` Edited by `admin` on `Sat Dec 16 14:21:41 UTC 2023`
Record UNII	U29GY32XJ4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NAVAFENTEROL

Official Name

English

2-THIOPHENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-2-THIENYL-, TRANS-4-((3-(5-((((2R)-2-(1,2-DIHYDRO-8-HYDROXY-2-OXO-5-QUINOLINYL)-2-HYDROXYETHYL)AMINO)METHYL)-1H-BENZOTRIAZOL-1-YL)PROPYL)METHYLAMINO)CYCLOHEXYL ESTER

Systematic Name

English

AZD-8871

Code

English

LAS191351

Code

English

NAVAFENTEROL [USAN]

Common Name

English

TRANS-4-((3-(5-((((2R)-2-HYDROXY-2-(8-HYDROXY-2-OXO-1,2-DIHYDRO-5- QUINOLINYL)ETHYL)AMINO)METHYL)-1H-BENZOTRIAZOL-1-YL)PROPYL)(METHYL)AMINO)CYCLOHEXYL HYDROXY(DI-2-THIENYL)ACETATE

Systematic Name

English

navafenterol [INN]

Common Name

English

LAS-191351

Code

English

AZD8871

Code

English

AZD 8871 [WHO-DD]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C174920