3-Bromorifamycin S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H44BrNO12
Molecular Weight	774.649
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)=C(Br)C4=O)C(O)=C3C

InChI

InChIKey=KEBCSEWEARRZEF-GVDHMVJUSA-N

InChI=1S/C37H44BrNO12/c1-15-11-10-12-16(2)36(47)39-27-26(38)31(44)23-24(32(27)45)30(43)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,1-9H3,(H,39,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H44BrNO12
Molecular Weight	774.649
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 16:14:00 GMT 2025` Edited by `admin` on `Wed Apr 02 16:14:00 GMT 2025`
Record UNII	27MVB6SC4F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Bromorifamycin S

Common Name

English

3-Bromo-1,4-dideoxy-1,4-dihydro-1,4-dioxorifamycin

Preferred Name

English

Rifamycin, 3-bromo-1,4-dideoxy-1,4-dihydro-1,4-dioxo-

Systematic Name

English

Code System Code Type Description

CAS

57375-25-4

Created by admin on Wed Apr 02 16:14:00 GMT 2025 , Edited by admin on Wed Apr 02 16:14:00 GMT 2025

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FDA UNII

27MVB6SC4F

Created by admin on Wed Apr 02 16:14:00 GMT 2025 , Edited by admin on Wed Apr 02 16:14:00 GMT 2025

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PUBCHEM

12889615

Created by admin on Wed Apr 02 16:14:00 GMT 2025 , Edited by admin on Wed Apr 02 16:14:00 GMT 2025

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