RIFALAZIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H64N4O13
Molecular Weight	941.0729
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](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C5OC6=C(N=C45)C(O)=CC(=C6)N7CCN(CC(C)C)CC7)C(O)=C3C

InChI

InChIKey=UEFHFKKWYKVLDC-HTQYORAHSA-N

InChI=1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H64N4O13
Molecular Weight	941.0729
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 16:03:24 UTC 2023` Edited by `admin` on `Sat Dec 16 16:03:24 UTC 2023`
Record UNII	S1976TE8QK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIFALAZIL

Official Name

English

KRM-1648

Code

English

(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,12,21,23,25-PENTAHYDROXY-10-(4-ISOBUTYL-1-PIPERAZINYL)-27-METHOXY-2,4,16,20,22,24,26-HEPTAMETHYL-2,7-(EPOXYPENTADECA(1,11,13)TRIENIMINO)-6H-BENZOFURO(4,5-A)PHENOXAZINE-1(2H),6,15-TRIONE 25-ACETATE

Common Name

English

3'-HYDROXY-5'-(4-ISOBUTYL-1-PIPERAZINYL)BENZOXAZINORIFAMYCIN

Common Name

English

RIFALAZIL [MI]

Common Name

English

1',4-DIDEHYDRO-1-DEOXY-1,4-DIHYDRO-3'-HYDROXY-5'-(4-(2-METHYLPROPYL)-1-PIPERAZINYL)-1-OXORIFAMYCIN VIII

Common Name

English

rifalazil [INN]

Common Name

English

RIFALAZIL [USAN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

122699