32-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(C2=O)C4=C(C(=O)C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](CO)[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=UQEGVCYMAKMTGK-CQIPUXGVSA-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)25(5)41(61-28(8)52)26(6)38(54)29(21-51)37(53)23(3)12-11-13-24(4)44(58)47-36(40(32)56)35(34)49-46/h11-14,19,22-23,25-26,29-30,37-38,41,49,51,53-55H,15-18,20-21H2,1-10H3,(H,47,58)/b12-11+,19-14+,24-13-/t23-,25+,26+,29+,30-,37-,38-,41+,45-/m0/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 `Sat Dec 16 09:04:54 GMT 2023` Edited by `admin` on `Sat Dec 16 09:04:54 GMT 2023`
Record UNII	9DHA7QN4JK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

32-HYDROXYRIFABUTIN

Common Name

English

SPIRO(4,9-1,11,13-PENTADECATRIEN-1-OLO-2H-FURO(2',3':7,8)NAPHTH(1,2-D)IMIDAZOLE-2,4'-PIPERIDINE)-5,10,25(3H,9H)-TRIONE, 15-(ACETYLOXY)-6,17,19-TRIHYDROXY-18-(HYDROXYMETHYL)-13-METHOXY-7,9,14,16,20,24-HEXAMETHYL-1'-(2-METHYLPROPYL)-, (9S,13S,14R,15S,16R,1

Systematic Name

English

Code System Code Type Description

CAS

122168-53-0

Created by admin on Sat Dec 16 09:04:54 GMT 2023 , Edited by admin on Sat Dec 16 09:04:54 GMT 2023

PRIMARY

FDA UNII

9DHA7QN4JK

Created by admin on Sat Dec 16 09:04:54 GMT 2023 , Edited by admin on Sat Dec 16 09:04:54 GMT 2023

PRIMARY

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