RIFAMEXIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H55N3O11S
Molecular Weight	809.965
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)C1=NC2=C(S1)C3=C(O)C4=C(O)C(C)=C5O[C@](C)(O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)C(=O)N3)C(=O)C5=C24

InChI

InChIKey=QTLQVMGAXZJADU-ZRWMMNBYSA-N

InChI=1S/C42H55N3O11S/c1-12-45(13-2)41-44-30-27-28-34(49)24(8)37-29(27)39(51)42(10,56-37)54-18-17-26(53-11)21(5)36(55-25(9)46)23(7)33(48)22(6)32(47)19(3)15-14-16-20(4)40(52)43-31(35(28)50)38(30)57-41/h14-19,21-23,26,32-33,36,47-50H,12-13H2,1-11H3,(H,43,52)/b15-14+,18-17+,20-16-/t19-,21+,22+,23+,26-,32-,33+,36+,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H55N3O11S
Molecular Weight	809.965
Charge	0
Count

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

Description
Sources: https://adisinsight.springer.com/drugs/800003612| https://www.ncbi.nlm.nih.gov/pmc/articles/PMC245319/pdf/aac00054-0116.pdf

Rifamexil (also known as MDL 62769 or P/DEA) is a derivative of rifamycin (a natural antibiotic produced by Amycolatopsis rifamycinica). This drug has greater intrinsic activity against Myobacterium avium (MAC) than rifampin. Information on current use of this compound is not available.

Originator

Approval Year

PubMed

Title	Date	PubMed
Bactericidal activity in vitro of various rifamycins against Mycobacterium avium and Mycobacterium tuberculosis.	1990 Mar	2155555

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:20:39 GMT 2023` Edited by `admin` on `Fri Dec 15 16:20:39 GMT 2023`
Record UNII	61TWQ7Q5NB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIFAMEXIL

Official Name

English

rifamexil [INN]

Common Name

English

MDL 62,769

Code

English

(9S,12E,14S,15S,16S,17R,18R,19R,20S,21S,22E,24Z)-2-(DIETHYLAMINO)-5,6,16,18,20-PENTAHYDROXY-14-METHOXY-7,9,15,17,19,21,25-HEPTAMETHYL-9,4-(EPOXYPENTADECA(1,11,13)TRIENIMINO)FURO(2',3':7,8)NAPHTHO(1,2-D)THIAZOLE-10,26(9H)-DIONE, 16-ACETATE

Common Name

English

RIFAMEXIL [USAN]

Common Name

English

RIFAMYCIN P, 2'-(DIETHYLAMINO)-

Common Name

English

MDL-62769

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C258