6-O,14-DIDEHYDRORIFAXIMIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H49N3O11
Molecular Weight	783.8627
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(C(=O)C(=NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C5=C4N=C6C=C(C)C=CN56)C(O)=C3C

InChI

InChIKey=UIQBVIBLPYSOHX-HZBWVCEKSA-N

InChI=1S/C43H49N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-50H,1-10H3/b12-11+,17-15+,21-13-,45-33-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H49N3O11
Molecular Weight	783.8627
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:36:37 UTC 2023` Edited by `admin` on `Sat Dec 16 14:36:37 UTC 2023`
Record UNII	JAA5V227IW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-O,14-DIDEHYDRORIFAXIMIN

Common Name

English

RIFAXIMIN IMPURITY G [EP IMPURITY]

Common Name

English

(2S,7Z,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-TRIHYDROXY-27-METHOXY-2,4,11,16,20,22,24,26-OCTAMETHYL-1,6,15-TRIOXO-1,2,6,7-TETRAHYDRO-2,7-(EPOXYPENTADECA(1,11,13)TRIENONITRILO)(1)BENZOFURO(4,5-E)PYRIDO(1,2-A)BENZIMIDAZOL-25-YL ACETATE (6-O,

Systematic Name

English

6H-2,7-(EPOXYPENTADECA(1,11,13)TRIENONITRILO)BENZOFURO(4,5-E)PYRIDO(1,2-A)BENZIMIDAZOLE-1,6,15(2H)-TRIONE, 25-(ACETYLOXY)-5,21,23-TRIHYDROXY-27-METHOXY-2,4,11,16,20,22,24,26-OCTAMETHYL-, (2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26S*,27R*,28E))-

Systematic Name

English

Code System Code Type Description

CAS

80621-76-7

Created by admin on Sat Dec 16 14:36:37 UTC 2023 , Edited by admin on Sat Dec 16 14:36:37 UTC 2023

PRIMARY

FDA UNII

JAA5V227IW

Created by admin on Sat Dec 16 14:36:37 UTC 2023 , Edited by admin on Sat Dec 16 14:36:37 UTC 2023

PRIMARY

EPA CompTox

DTXSID50747458

Created by admin on Sat Dec 16 14:36:37 UTC 2023 , Edited by admin on Sat Dec 16 14:36:37 UTC 2023

PRIMARY

Related Record Type Details


					L36O5T016N

RIFAXIMIN

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: