FREDERICAMYCIN A POTASSIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H18NO9.K.2H
Molecular Weight	577.5794
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[H+].[K+].COC1=CC(=O)C2=C([O-])C3=C(C(=O)[C@]4(CCC5=CC6=C(C(=O)NC(\C=C\C=C\C)=C6)C([O-])=C45)C3=O)C([O-])=C2C1=O

InChI

InChIKey=ULOMSBFSMWGNNT-MJVAEPSASA-M

InChI=1S/C30H21NO9.K/c1-3-4-5-6-14-10-13-9-12-7-8-30(22(12)26(36)17(13)29(39)31-14)27(37)20-21(28(30)38)25(35)19-18(24(20)34)15(32)11-16(40-2)23(19)33;/h3-6,9-11,34-36H,7-8H2,1-2H3,(H,31,39);/q;+1/p-1/b4-3+,6-5+;/t30-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C30H20NO9
Molecular Weight	538.4811
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	1 / 1
E/Z Centers	2
Optical Activity	UNSPECIFIED

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:53:11 GMT 2025` Edited by `admin` on `Mon Mar 31 22:53:11 GMT 2025`
Record UNII	6Q0NG3T8KN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FREDERICAMYCIN A POTASSIUM SALT [MI]

Preferred Name

English

FREDERICAMYCIN A POTASSIUM

Common Name

English

SPIRO(2H-BENZ(F)INDENE-2,8'-(8H)CYCLOPENT(G)ISOQUINOLINE)-1,1',3,5,8(2'H)-PENTONE, 6',7'-DIHYDRO-4,9,9'-TRIHYDROXY-6-METHOXY-3'-(1E,3E)-1,3-PENTADIEN-1-YL-, POTASSIUM SALT (1:1), (2S)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m5566

Created by admin on Mon Mar 31 22:53:11 GMT 2025 , Edited by admin on Mon Mar 31 22:53:11 GMT 2025

PRIMARY

Merck Index

PUBCHEM

121596039

Created by admin on Mon Mar 31 22:53:11 GMT 2025 , Edited by admin on Mon Mar 31 22:53:11 GMT 2025

PRIMARY

CAS

113974-31-5

Created by admin on Mon Mar 31 22:53:11 GMT 2025 , Edited by admin on Mon Mar 31 22:53:11 GMT 2025

PRIMARY

FDA UNII

6Q0NG3T8KN

Created by admin on Mon Mar 31 22:53:11 GMT 2025 , Edited by admin on Mon Mar 31 22:53:11 GMT 2025

PRIMARY

Related Record Type Details


					WSY58QC629

FREDERICAMYCIN A

PARENT -> SALT/SOLVATE

Related Record Type Details


					WSY58QC629

FREDERICAMYCIN A

ACTIVE MOIETY