NAVAFENTEROL SACCHARINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H42N6O6S2.C7H5NO3S
Molecular Weight	926.091
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1NS(=O)(=O)C2=C1C=CC=C2.CN(CCCN3N=NC4=CC(CNC[C@H](O)C5=CC=C(O)C6=C5C=CC(=O)N6)=CC=C34)[C@H]7CC[C@@H](CC7)OC(=O)C(O)(C8=CC=CS8)C9=CC=CS9

InChI

InChIKey=WXFYZNXSBYPTSS-KYWULLABSA-N

InChI=1S/C38H42N6O6S2.C7H5NO3S/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;9-7-5-3-1-2-4-6(5)12(10,11)8-7/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);1-4H,(H,8,9)/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

Molecular Formula	C7H5NO3S
Molecular Weight	183.185
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 14:18:30 UTC 2023` Edited by `admin` on `Sat Dec 16 14:18:30 UTC 2023`
Record UNII	3K9GRC4RNX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NAVAFENTEROL SACCHARINATE

Official Name

English

AZD-8871 SACCHARINATE

Code

English

TRANS-4-((3-(5-((((2R)-2-HYDROXY-2-(8-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-5-YL)ETHYL)AMINO)METHYL)-1H-1,2,3-BENZOTRIAZOL-1-YL)PROPYL)(METHYL)AMINO)CYCLOHEXYL HYDROXYDI(THIOPHEN-2-YL)ACETATE, BENZO(D)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE (1:1)

Systematic Name

English

NAVAFENTEROL SACCHARINATE [USAN]

Common Name

English

AZD8871 SACCHARINATE

Code

English

LAS191351 SACCHARINATE

Code

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, COMPD. WITH 1,2-BENZISOTHIAZOL-3(2H)-ON

Systematic Name

English

LAS-191351 SACCHARINATE

Code

English

Code System Code Type Description

CAS

1648550-37-1