25-Desacetyl Rifaximin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H49N3O10
Molecular Weight	743.8419
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C4=C5N=C6C=C(C)C=CN6C5=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C(O)=C4C(O)=C3C

InChI

InChIKey=DJPOZUDQVGFMDB-RGEIQLHXSA-N

InChI=1S/C41H49N3O10/c1-18-13-15-44-26(17-18)42-30-27-28-36(48)24(7)38-29(27)39(50)41(8,54-38)53-16-14-25(52-9)21(4)34(46)23(6)35(47)22(5)33(45)19(2)11-10-12-20(3)40(51)43-31(32(30)44)37(28)49/h10-17,19,21-23,25,33-35,45-49H,1-9H3,(H,43,51)/b11-10-,16-14-,20-12-/t19-,21+,22+,23-,25-,33-,34+,35+,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H49N3O10
Molecular Weight	743.8419
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 `Wed Apr 02 17:45:40 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:40 GMT 2025`
Record UNII	QU39HSJ985
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

25-Desacetyl Rifaximin

Common Name

English

2,7-(Epoxypentadeca[1,11,13]trienimino)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,15(2H)-dione, 5,6,21,23,25-pentahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, [2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26R*,27R*,28E)]-

Preferred Name

English

Code System Code Type Description

FDA UNII

QU39HSJ985

Created by admin on Wed Apr 02 17:45:40 GMT 2025 , Edited by admin on Wed Apr 02 17:45:40 GMT 2025

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CAS

80621-88-1

Created by admin on Wed Apr 02 17:45:40 GMT 2025 , Edited by admin on Wed Apr 02 17:45:40 GMT 2025

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