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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27BrN4O15S
Molecular Weight 675.415
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PR-104G

SMILES

CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1C(=O)NCCO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=UHZXHGOIRRTEMH-SAGLZJIZSA-N
InChI=1S/C20H27BrN4O15S/c1-41(36,37)39-7-5-23(4-2-21)13-11(8-10(24(32)33)9-12(13)25(34)35)18(29)22-3-6-38-20-16(28)14(26)15(27)17(40-20)19(30)31/h8-9,14-17,20,26-28H,2-7H2,1H3,(H,22,29)(H,30,31)/t14-,15-,16+,17-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H27BrN4O15S
Molecular Weight 675.415
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:16:38 GMT 2023
Edited
by admin
on Sat Dec 16 16:16:38 GMT 2023
Record UNII
U0ORD4WY8S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PR-104G
Common Name English
2-((2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-3,5-DINITROBENZOYL)AMINO)ETHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
PR-104 METABOLITE M1
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-3,5-DINITROBENZOYL)AMINO)ETHYL
Systematic Name English
Code System Code Type Description
CAS
1012063-54-5
Created by admin on Sat Dec 16 16:16:38 GMT 2023 , Edited by admin on Sat Dec 16 16:16:38 GMT 2023
PRIMARY
FDA UNII
U0ORD4WY8S
Created by admin on Sat Dec 16 16:16:38 GMT 2023 , Edited by admin on Sat Dec 16 16:16:38 GMT 2023
PRIMARY
PUBCHEM
146675105
Created by admin on Sat Dec 16 16:16:38 GMT 2023 , Edited by admin on Sat Dec 16 16:16:38 GMT 2023
PRIMARY
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