COUMERMYCIN SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H58N5O20.Na
Molecular Weight	1132.0603
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CO[C@@H]1[C@@H](OC(=O)C2=CC=C(C)N2)[C@@H](O)[C@H](OC3=C(C)C4=C(C=C3)C(O)=C(NC(=O)C5=CNC(C(=O)NC6=C([O-])C7=C(OC6=O)C(C)=C(O[C@@H]8OC(C)(C)[C@H](OC)[C@@H](OC(=O)C9=CC=C(C)N9)[C@H]8O)C=C7)=C5C)C(=O)O4)OC1(C)C

InChI

InChIKey=WTUXHNVTMYDUAM-DHHSFAMCSA-M

InChI=1S/C55H59N5O20.Na/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30;/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66);/q;+1/p-1/t38-,39-,42+,43+,44-,45-,52-,53-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C55H58N5O20
Molecular Weight	1109.0705
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:13:11 UTC 2023` Edited by `admin` on `Sat Dec 16 05:13:11 UTC 2023`
Record UNII	1VHT58TJ83
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COUMERMYCIN SODIUM

Official Name

English

COUMERMYCIN SODIUM [USAN]

Common Name

English

RO-5-4645/010

Code

English

SODIUM COUMERMYCIN A1

Common Name

English

RO 5-4645/010

Code

English

1H-PYRROLE-2,4-DICARBOXAMIDE, N2,N4-BIS(7-((6-DEOXY-5-C-METHYL-4-O-METHYL-3-O-((5-METHYL-1H-PYRROL-2-YL)CARBONYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-4-HYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL)-3-METHYL-, SODIUM SALT (1:1)

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C166516