RIFABUTIN 14R EPIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H62N4O11
Molecular Weight	847.0047
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(C)C(O)=C4C(=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)=C5NC6(CCN(CC(C)C)CC6)N=C5C4=C3C2=O

InChI

InChIKey=ATEBXHFBFRCZMA-IMKCQRGKSA-N

InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30+,37-,38+,41+,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C46H62N4O11
Molecular Weight	847.0047
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 `Wed Apr 02 13:26:53 GMT 2025` Edited by `admin` on `Wed Apr 02 13:26:53 GMT 2025`
Record UNII	JGK7MBF8MW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIFABUTIN 14R EPIMER

Common Name

English

RIFABUTIN 14R EPIMER [USP IMPURITY]

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

JGK7MBF8MW

Created by admin on Wed Apr 02 13:26:53 GMT 2025 , Edited by admin on Wed Apr 02 13:26:53 GMT 2025

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RIFABUTIN

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: