31-HYDROXYRIFABUTIN

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@H](CO)[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=PANFHCPHSZTZMK-HWOJVXRRSA-N

InChI=1S/C46H62N4O12/c1-22(2)20-50-17-15-46(16-18-50)48-34-31-32-39(55)27(7)42-33(31)43(57)45(9,62-42)60-19-14-30(59-10)24(4)41(61-28(8)52)26(6)37(53)25(5)38(54)29(21-51)13-11-12-23(3)44(58)47-36(40(32)56)35(34)49-46/h11-14,19,22,24-26,29-30,37-38,41,49,51,53-55H,15-18,20-21H2,1-10H3,(H,47,58)/b13-11+,19-14+,23-12-/t24-,25+,26-,29-,30+,37-,38-,41-,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 `Mon Mar 31 22:28:34 GMT 2025` Edited by `admin` on `Mon Mar 31 22:28:34 GMT 2025`
Record UNII	O654NRI9T1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIFAMYCIN XIV, 1',4-DIDEHYDRO-1-DEOXY-1,4-DIHYDRO-31-HYDROXY-5'-(2-METHYLPROPYL)-1-OXO-

Preferred Name

English

31-HYDROXYRIFABUTIN

Common Name

English

Code System Code Type Description

CAS

100324-64-9

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

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PUBCHEM

6476668

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

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FDA UNII

O654NRI9T1

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

PRIMARY

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