Chemical Compound

PR-104 metabolite M1

CAS Registry Number 1012063-54-5
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PR-104 metabolite M1 chemical structure
Primary Record

PR-104 metabolite M1

In stock
947 g
Purity
98.2 %
CAS
1012063-54-5

Compound Identifiers & Properties

CAS
1012063-54-5
PubChem CID
146675105
SMILES
CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
Canonical SMILES
CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

Names & Synonyms

  • PR-104 metabolite M1
  • U0ORD4WY8S
  • UNII-U0ORD4WY8S
  • PR-104G
  • 1012063-54-5
  • 2-((2-((2-Bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoyl)amino)ethyl beta-D-glucopyranosiduronic acid
  • beta-D-Glucopyranosiduronic acid, 2-((2-((2-bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoyl)amino)ethyl
  • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-3,5-DINITROBENZOYL)AMINO)ETHYL
  • 2-((2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-3,5-DINITROBENZOYL)AMINO)ETHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID