MITEMCINAL FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C40H69NO12.C4H4O4
Molecular Weight	1628.0229
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.[H][C@@]2(O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(OC)C(=O)[C@@H](C)C3=C(C)C[C@@](C)(O3)[C@]([H])(O[C@@H]4O[C@H](C)C[C@@H]([C@H]4O)N(C)C(C)C)[C@H]2C.[H][C@@]6(O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(OC)C(=O)[C@@H](C)C7=C(C)C[C@@](C)(O7)[C@]([H])(O[C@@H]8O[C@H](C)C[C@@H]([C@H]8O)N(C)C(C)C)[C@H]6C

InChI

InChIKey=KQRXEQGYUDDPNW-QXRSSOOUSA-N

InChI=1S/2C40H69NO12.C4H4O4/c2*1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29;5-3(6)1-2-4(7)8/h2*20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C40H69NO12
Molecular Weight	755.9754
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:38 UTC 2023`
Record UNII	XU63LQ260J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MITEMCINAL FUMARATE

Official Name

English

ERYTHROMYCIN, 8,9-DIDEHYDRO-N-DEMETHYL-9-DEOXO-6,11-DIDEOXY-6,9-EPOXY-12-O-METHYL N-(1-METHYLETHYL)-11-OXO-, (2E)-2-BUTENEDIOATE (2:1)

Common Name

English

MITEMCINAL FUMARATE [USAN]

Common Name

English

5-1 UKIMA 5 CHOME

Code

English

5-1-UKIMA-5-CHOME

Code

English

115-8543 JAPAN

Code

English

Mitemcinal fumarate [WHO-DD]

Common Name

English

115-8543-JAPAN

Code

English

KITA-KU TOYKO

Code

English

GM-611

Code

English

8,9-Didehydro-N-demethyl-9-deoxo-6,11-dideoxy-6,9-epoxy-N-isopropyl-12-O-methyl-11-oxoerythromycin fumarate (2:1) (salt)

Common Name

English

Code System Code Type Description

SMS_ID

300000044523