(21R)-Hydroxy Rifabutin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H62N4O12
Molecular Weight	863.0041
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@@](C)(O)[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=VDTSFQHFKVJUOY-KFTMIDLWSA-N

InChI=1S/C46H62N4O12/c1-22(2)21-50-18-16-46(17-19-50)48-33-30-31-37(53)26(6)40-32(30)42(56)45(10,62-40)60-20-14-29(59-11)24(4)39(61-28(8)51)25(5)36(52)27(7)41(55)44(9,58)15-12-13-23(3)43(57)47-35(38(31)54)34(33)49-46/h12-15,20,22,24-25,27,29,36,39,41,49,52-53,55,58H,16-19,21H2,1-11H3,(H,47,57)/b15-12+,20-14+,23-13-/t24-,25-,27+,29+,36+,39-,41-,44-,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C46H62N4O12
Molecular Weight	863.0041
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 19:42:18 GMT 2025` Edited by `admin` on `Wed Apr 02 19:42:18 GMT 2025`
Record UNII	N78A2F8BV7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(21R)-Hydroxy Rifabutin

Common Name

English

(9S,12E,14S,15R,16S,17R,18R,19S,20R,21R,22E,24Z)-16-(Acetyloxy)-6,18,20,21-tetrahydroxy-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

Preferred 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, 16-(acetyloxy)-6,18,20,21-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1?-(2-methylpropyl)-, [9S-(9R*,12E,14R*,15S*,1

Systematic 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, 16-(acetyloxy)-6,18,20,21-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1?-(2-methylpropyl)-, (9S,12E,14S,15R,16S,17R,

Systematic Name

English

16-(Acetyloxy)-6,18,20,21-tetrahydroxy-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]-5,10,26(3H,9H)-trione, (9S,12E,14S,15R,16S,17R,18R

Systematic Name

English

Code System Code Type Description

CAS

185803-93-4

Created by admin on Wed Apr 02 19:42:18 GMT 2025 , Edited by admin on Wed Apr 02 19:42:18 GMT 2025

PRIMARY

FDA UNII

N78A2F8BV7

Created by admin on Wed Apr 02 19:42:18 GMT 2025 , Edited by admin on Wed Apr 02 19:42:18 GMT 2025

PRIMARY