Rifampicin quinone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H56N4O12
Molecular Weight	820.9243
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
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=N\N5CCN(C)CC5)C4=O)C(O)=C3C

InChI

InChIKey=IHHAOHNZEKYBLG-WLSIYKJHSA-N

InChI=1S/C43H56N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H56N4O12
Molecular Weight	820.9243
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:02:05 GMT 2025` Edited by `admin` on `Wed Apr 02 12:02:05 GMT 2025`
Record UNII	0OOV23TI6T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-145633

Preferred Name

English

Rifampicin quinone

Common Name

English

RIFAMPICIN IMPURITY A [EP IMPURITY]

Common Name

English

Rifamycin, 1,4-dideoxy-1,4-dihydro-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxo-

Systematic Name

English

RIFAMPIN QUINONE [USP-RS]

Common Name

English

1,4-Dideoxy-1,4-dihydro-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxorifamycin

Systematic Name

English

2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate

Systematic Name

English

Rifaldazinequinone

Common Name

English

Code System Code Type Description

CAS

13983-13-6