16-DESMETHYL-16-(HYDROXYMETHYL)RIFAXIMIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H51N3O12
Molecular Weight	801.8779
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 16-DESMETHYL-16-(HYDROXYMETHYL)RIFAXIMIN

Structure Search

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(C(O)=C3C)C(O)=C(NC(=O)C(CO)=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

InChI

InChIKey=QCTUFZPLJLQLQM-SRVBJRABSA-N

InChI=1S/C43H51N3O12/c1-19-13-15-46-28(17-19)44-32-29-30-37(51)24(6)40-31(29)41(53)43(8,58-40)56-16-14-27(55-9)21(3)39(57-25(7)48)23(5)36(50)22(4)35(49)20(2)11-10-12-26(18-47)42(54)45-33(34(32)46)38(30)52/h10-17,20-23,27,35-36,39,47,49-52H,18H2,1-9H3,(H,45,54)/b11-10+,16-14+,26-12-/t20-,21+,22+,23+,27-,35-,36+,39+,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H51N3O12
Molecular Weight	801.8779
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 14:36:38 GMT 2023` Edited by `admin` on `Sat Dec 16 14:36:38 GMT 2023`
Record UNII	X5ZC3G20EC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16-DESMETHYL-16-(HYDROXYMETHYL)RIFAXIMIN

Common Name

English

2,7-(EPOXYPENTADECA(1,11,13)TRIENIMINO)BENZOFURO(4,5-E)PYRIDO(1,2-A)BENZIMIDAZOLE-1,15(2H)-DIONE, 25-(ACETYLOXY)-5,6,21,23-TETRAHYDROXY-16-(HYDROXYMETHYL)-27-METHOXY-2,4,11,20,22,24,26-HEPTAMETHYL-, (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-

Systematic Name

English

(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-TETRAHYDROXY-16-(HYDROXYMETHYL)-27-METHOXY-2,4,11,20,22,24,26-HEPTAMETHYL-1,15-DIOXO-1,2-DIHYDRO2,7-(EPOXYPENTADECA(1,11,13)TRIENOIMINO)(1)BENZOFURO(4,5-E)PYRIDO(1,2-A)BENZIMIDAZOL-25-YL ACETATE

Systematic Name

English

(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-(ACETYLOXY)-5,6,21,23-TETRAHYDROXY-16-(HYDROXYMETHYL)-27-METHOXY-2,4,11,20,22,24,26-HEPTAMETHYL-2,7-(EPOXYPENTADECA(1,11,13)TRIENIMINO)BENZOFURO(4,5-E)PYRIDO(1,2-A)BENZIMIDAZOLE-1,15(2H)-DIONE

Systematic Name

English

RIFAXIMIN IMPURITY H [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

46927912

Created by admin on Sat Dec 16 14:36:38 GMT 2023 , Edited by admin on Sat Dec 16 14:36:38 GMT 2023

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CAS

1210022-90-4

Created by admin on Sat Dec 16 14:36:38 GMT 2023 , Edited by admin on Sat Dec 16 14:36:38 GMT 2023

PRIMARY

FDA UNII

X5ZC3G20EC

Created by admin on Sat Dec 16 14:36:38 GMT 2023 , Edited by admin on Sat Dec 16 14:36:38 GMT 2023

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EPA CompTox

DTXSID10861028

Created by admin on Sat Dec 16 14:36:38 GMT 2023 , Edited by admin on Sat Dec 16 14:36:38 GMT 2023

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Related Record Type Details


					L36O5T016N

RIFAXIMIN

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: