RIFAMYCIN O

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H47NO14
Molecular Weight	753.7888
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
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)=C[C@]45OCC(=O)O5)C(O)=C3C

InChI

InChIKey=RAFHKEAPVIWLJC-TWYIRNIGSA-N

InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H47NO14
Molecular Weight	753.7888
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:32:03 UTC 2023` Edited by `admin` on `Fri Dec 15 17:32:03 UTC 2023`
Record UNII	Z67LEM9P1W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIFAMYCIN O

Common Name

English

RIFAMYCIN O [EP IMPURITY]

Common Name

English

RIFAMYCIN SODIUM IMPURITY C [EP IMPURITY]

Common Name

English

RIFAXIMIN IMPURITY F [EP IMPURITY]

Common Name

English

NSC-182391

Code

English

((2RS,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-1,4,6,11-TETRAOXO-1,2-DIHYDROSPIRO(1,3-DIOXOLANE-2,9(6H)-(2,7)(EPOXYPENTADECA(1,11,13)TRIENAZANO)NAPHTHO(2,1-B)FURAN)-21-YL ACETATE

Systematic Name

English

RIFAMYCIN O [MI]

Common Name

English

4-O-(CARBOXYMETHYL)-1-DEOXY-1,4-DIHYDRO-4-HYDROXY-1-OXORIFAMYCIN .GAMMA.-LACTONE

Common Name

English

Code System Code Type Description

MERCK INDEX

m9612