25-O-Deacetyl-23-O-acetyl Rifabutin

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 of 25-O-Deacetyl-23-O-acetyl Rifabutin

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](OC(C)=O)[C@@H](C)[C@H](O)[C@@H]1C)=C5NC6(CCN(CC(C)C)CC6)N=C5C4=C3C2=O

InChI

InChIKey=LOOVNVGPMPWDBB-ZRTDEYBZSA-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)38(53)27(7)41(60-29(9)51)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

Approval Year

Name

Type

Language

(9S,12E,14S,15S,16R,17S,18R,19R,20S,21S,22E,24Z)-18-(Acetyloxy)-6,16,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1?-(2-methylpropyl)spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2?,3?:7,8]naphth[1,2-d]imidazole-2,4?-piperidine]-5,10,2

Preferred Name

English

25-O-Deacetyl-23-O-acetyl Rifabutin

Common Name

English

Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2?,3?:7,8]naphth[1,2-d]imidazole-2,4?-piperidine]-5,10,26(3H,9H)-trione, 18-(acetyloxy)-6,16,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1?-(2-methylpropyl)-, (9S,12E,14S,15S,16R,17S,18R,1

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60747424

Created by admin on Wed Apr 02 17:29:41 GMT 2025 , Edited by admin on Wed Apr 02 17:29:41 GMT 2025

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FDA UNII

V4WL9DZ3SW

Created by admin on Wed Apr 02 17:29:41 GMT 2025 , Edited by admin on Wed Apr 02 17:29:41 GMT 2025

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CAS

1242076-43-2

Created by admin on Wed Apr 02 17:29:41 GMT 2025 , Edited by admin on Wed Apr 02 17:29:41 GMT 2025

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SUBSTANCE RECORD


					V4WL9DZ3SW

25-O-Deacetyl-23-O-acetyl Rifabutin