3-Nitrorifamycin S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H44N2O14
Molecular Weight	740.7503
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(C4=O)[N+]([O-])=O)C(O)=C3C

InChI

InChIKey=AZZVKNIEDVNCBK-GVDHMVJUSA-N

InChI=1S/C37H44N2O14/c1-15-11-10-12-16(2)36(47)38-26-27(39(48)49)32(45)23-24(31(26)44)30(43)20(6)34-25(23)35(46)37(8,53-34)51-14-13-22(50-9)17(3)33(52-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,1-9H3,(H,38,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H44N2O14
Molecular Weight	740.7503
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 16:14:01 GMT 2025` Edited by `admin` on `Wed Apr 02 16:14:01 GMT 2025`
Record UNII	4G7X68L7ZT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

3-Nitrorifamycin S

Common Name

English

Code System Code Type Description

CAS

72788-67-1

Created by admin on Wed Apr 02 16:14:01 GMT 2025 , Edited by admin on Wed Apr 02 16:14:01 GMT 2025

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PUBCHEM

166451445

Created by admin on Wed Apr 02 16:14:01 GMT 2025 , Edited by admin on Wed Apr 02 16:14:01 GMT 2025

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EPA CompTox

DTXSID20714495

Created by admin on Wed Apr 02 16:14:01 GMT 2025 , Edited by admin on Wed Apr 02 16:14:01 GMT 2025

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FDA UNII

4G7X68L7ZT

Created by admin on Wed Apr 02 16:14:01 GMT 2025 , Edited by admin on Wed Apr 02 16:14:01 GMT 2025

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