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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32BrN5O7
Molecular Weight 618.476
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-4-PYRIMIDINYL

SMILES

CC1=NC=C(CC2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)N=C(NCCCCC4=C(C)C=C(Br)C=N4)N=C2)C=C1

InChI

InChIKey=SAXYSUKTXHPMDM-YVIDDRJESA-N
InChI=1S/C27H32BrN5O7/c1-14-9-18(28)13-31-19(14)5-3-4-8-29-27-32-12-17(10-16-7-6-15(2)30-11-16)24(33-27)40-26-22(36)20(34)21(35)23(39-26)25(37)38/h6-7,9,11-13,20-23,26,34-36H,3-5,8,10H2,1-2H3,(H,37,38)(H,29,32,33)/t20-,21-,22+,23-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32BrN5O7
Molecular Weight 618.476
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 15:20:33 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:33 GMT 2023
Record UNII
PHZ5WG35WQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((4-(5-BROMO-3-METHYL-2-PYRIDINYL)BUTYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-4-PYRIMIDINYL
Systematic Name English
Code System Code Type Description
PUBCHEM
156028089
Created by admin on Sat Dec 16 15:20:33 GMT 2023 , Edited by admin on Sat Dec 16 15:20:33 GMT 2023
PRIMARY
CAS
127824-28-6
Created by admin on Sat Dec 16 15:20:33 GMT 2023 , Edited by admin on Sat Dec 16 15:20:33 GMT 2023
PRIMARY
FDA UNII
PHZ5WG35WQ
Created by admin on Sat Dec 16 15:20:33 GMT 2023 , Edited by admin on Sat Dec 16 15:20:33 GMT 2023
PRIMARY
Related Record Type Details
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