Dimerum acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H36N4O8
Molecular Weight	484.5432
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C(CCO)=C/C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)\C=C(/C)CCO)NC1=O

InChI

InChIKey=MKDKGLNKTMDNHY-URISWADMSA-N

InChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+/t17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H36N4O8
Molecular Weight	484.5432
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:00:59 GMT 2025` Edited by `admin` on `Wed Apr 02 20:00:59 GMT 2025`
Record UNII	SDS82XVN4Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dimerumic acid

Preferred Name

English

Dimerum acid

Common Name

English

2-Pentenamide, N,N?-[[(2S,5S)-3,6-dioxo-2,5-piperazinediyl]di-3,1-propanediyl]bis[N,5-dihydroxy-3-methyl-, (2E,2?E)-

Systematic Name

English

Dimerunic acid

Common Name

English

(2E,2?E)-N,N?-[[(2S,5S)-3,6-Dioxo-2,5-piperazinediyl]di-3,1-propanediyl]bis[N,5-dihydroxy-3-methyl-2-pentenamide]

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID601318038

Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025

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CAS

26912-16-3

Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025

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FDA UNII

SDS82XVN4Q

Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025

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PUBCHEM

137645418

Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025

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