FLUBENTYLOSIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H82FNO17
Molecular Weight	1024.2131
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@@](C)(O)[C@@H](OCC2=CC=C(F)C=C2)[C@H](C)O1)O[C@@H]3[C@@H](C)O[C@@]([H])(O[C@H]4[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(C)=C\[C@H](CO[C@@H]5O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]5OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]4C)[C@H](O)[C@H]3N(C)C

InChI

InChIKey=FVQGMXUKQAXPIP-JLTQGABHSA-N

InChI=1S/C53H82FNO17/c1-13-40-36(27-66-52-49(64-12)48(63-11)44(60)31(5)68-52)22-28(2)14-19-38(57)29(3)23-35(20-21-56)46(30(4)39(58)24-41(59)70-40)72-51-45(61)43(55(9)10)47(32(6)69-51)71-42-25-53(8,62)50(33(7)67-42)65-26-34-15-17-37(54)18-16-34/h14-19,21-22,29-33,35-36,39-40,42-52,58,60-62H,13,20,23-27H2,1-12H3/b19-14+,28-22+/t29-,30+,31-,32-,33+,35+,36-,39-,40-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H82FNO17
Molecular Weight	1024.2131
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:55:40 UTC 2023` Edited by `admin` on `Sat Dec 16 13:55:40 UTC 2023`
Record UNII	HXL1F57P8O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLUBENTYLOSIN

Official Name

English

flubentylosin [INN]

Common Name

English

TYLOSIN, 4B-O-((4-FLUOROPHENYL)METHYL)-

Common Name

English

ABBV-4083

Code

English

4''-(P-FLUOROBENZYL)TYLOSIN A

Common Name

English

4B-O-((4-FLUOROPHENYL)METHYL)TYLOSIN

Common Name

English

ABBV4083

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

573016