RIFAMYCIN S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H45NO12
Molecular Weight	695.7527
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)=CC4=O)C(O)=C3C

InChI

InChIKey=BTVYFIMKUHNOBZ-ODRIEIDWSA-N

InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H45NO12
Molecular Weight	695.7527
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 `Fri Dec 15 15:37:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:37:27 GMT 2023`
Record UNII	PI53N820JV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIFAMYCIN S

Common Name

English

1,4-DIDEOXY-1,4-DIHYDRO-1,4-DIOXORIFAMYCIN

Common Name

English

((2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-TRIHYDROXY-23-METHOXY-2,4,12,16,18,20,22-HEPTAMETHYL-1,6,9,11-TETRAOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA(1,11,13)TRIENAZANO)NAPHTHO(2,1-B)FURAN-21-YL ACETATE

Systematic Name

English

RIFAXIMIN IMPURITY E [EP IMPURITY]

Common Name

English

RIFAMYCIN S [EP IMPURITY]

Common Name

English

RIFAMYCIN SODIUM IMPURITY B [EP IMPURITY]

Common Name

English

RIFAMYCIN S [MI]

Common Name

English

NSC-144130

Code

English

Code System Code Type Description

CAS

13553-79-2