U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of 31-HYDROXYRIFABUTIN

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](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=C45)C(O)=C3C

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

Approval Year

Name Type Language
31-HYDROXYRIFABUTIN
Common Name English
RIFAMYCIN XIV, 1',4-DIDEHYDRO-1-DEOXY-1,4-DIHYDRO-31-HYDROXY-5'-(2-METHYLPROPYL)-1-OXO-
Common Name English
Code System Code Type Description
CAS
100324-64-9
Created by admin on Sat Dec 16 09:04:53 GMT 2023 , Edited by admin on Sat Dec 16 09:04:53 GMT 2023
PRIMARY
PUBCHEM
6476668
Created by admin on Sat Dec 16 09:04:53 GMT 2023 , Edited by admin on Sat Dec 16 09:04:53 GMT 2023
PRIMARY
FDA UNII
O654NRI9T1
Created by admin on Sat Dec 16 09:04:53 GMT 2023 , Edited by admin on Sat Dec 16 09:04:53 GMT 2023
PRIMARY