HMR-3562

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H64FN5O10
Molecular Weight	829.9942
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@]3([H])O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C(=O)[C@](C)(F)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCCCN4C=NC(=C4)C5=CN=CC=C5

InChI

InChIKey=RSIQCUSPSFSWMQ-XXTFOGKVSA-N

InChI=1S/C43H64FN5O10/c1-12-32-43(8)35(49(40(54)59-43)19-14-13-18-48-23-30(46-24-48)29-16-15-17-45-22-29)27(4)33(50)25(2)21-41(6,55-11)37(28(5)36(52)42(7,44)39(53)57-32)58-38-34(51)31(47(9)10)20-26(3)56-38/h15-17,22-28,31-32,34-35,37-38,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H64FN5O10
Molecular Weight	829.9942
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:28:21 GMT 2023` Edited by `admin` on `Sat Dec 16 11:28:21 GMT 2023`
Record UNII	MJJ8RH7Z3D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HMR-3562

Code

English

HMR3562

Code

English

(3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-

Systematic Name

English

2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (3AS,4

Systematic Name

English

(1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-((2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-13-ETHYL-10-FLUORO-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-(4-(4-(3-PYRIDYL)IMIDAZOL-1-YL)BUTYL)-12,15-DIOXA-17-AZABICYCLO(12.3.0)HEPTADECANE-3,9

Systematic Name

English

Code System Code Type Description

PUBCHEM

6918484

Created by admin on Sat Dec 16 11:28:21 GMT 2023 , Edited by admin on Sat Dec 16 11:28:21 GMT 2023

PRIMARY

MANUFACTURER PRODUCT INFORMATION

HMR-3562

Created by admin on Sat Dec 16 11:28:21 GMT 2023 , Edited by admin on Sat Dec 16 11:28:21 GMT 2023

PRIMARY

Chemical Synthesis of HMR-3562

FDA UNII

MJJ8RH7Z3D

Created by admin on Sat Dec 16 11:28:21 GMT 2023 , Edited by admin on Sat Dec 16 11:28:21 GMT 2023

PRIMARY

CAS

193752-41-9

Created by admin on Sat Dec 16 11:28:21 GMT 2023 , Edited by admin on Sat Dec 16 11:28:21 GMT 2023

PRIMARY

Related Record Type Details


					MJJ8RH7Z3D

HMR-3562

ACTIVE MOIETY

Comments:

Six structurally related 3-keto-substituted macrolide antibiotics (ketolides) were compared for concentration-dependent inhibitory effects on growth rate, viable cell number, and protein synthesis rates in Staphylococcus aureus cells.Two 2-fluoroketolides (HMR 3562 and HMR 3787) were equivalent in their inhibitory activity with an IC50= 0.06 μg/ml.

Amount:


					MJJ8RH7Z3D

HMR-3562

ACTIVE MOIETY

Comments:

Chemical synthesis of HMR-3562