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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H39F2N3O7S.C4H11N
Molecular Weight 768.909
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-4121 TERT-BUTYLAMMONIUM

SMILES

CC(C)(C)N.O[C@@H](CS[C@@H]1[C@H](N(C1=O)C2=CC=C(F)C=C2)C3=CC=C(OCC(=O)NCC(=O)N[C@H](CC4CCCCC4)C(O)=O)C=C3)C5=CC=C(F)C=C5

InChI

InChIKey=ZTJNRPINHWHEQN-FYTNBZLXSA-N
InChI=1S/C36H39F2N3O7S.C4H11N/c37-25-10-6-23(7-11-25)30(42)21-49-34-33(41(35(34)45)27-14-12-26(38)13-15-27)24-8-16-28(17-9-24)48-20-32(44)39-19-31(43)40-29(36(46)47)18-22-4-2-1-3-5-22;1-4(2,3)5/h6-17,22,29-30,33-34,42H,1-5,18-21H2,(H,39,44)(H,40,43)(H,46,47);5H2,1-3H3/t29-,30+,33-,34-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C36H39F2N3O7S
Molecular Weight 695.773
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H11N
Molecular Weight 73.1368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:41:39 GMT 2023
Edited
by admin
on Sat Dec 16 14:41:39 GMT 2023
Record UNII
KW7K3B0F66
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-4121 TERT-BUTYLAMMONIUM
Code English
2-PROPANAMINE, 2-METHYL-, COMPD. WITH (N-(2-(4-((2R,3R)-1-(4-FLUOROPHENYL)-3-(((2R)-2-(4-FLUOROPHENYL)-2-HYDROXYETHYL)THIO)-4-OXO-2-AZETIDINYL)PHENOXY)ACETYL)GLYCYL-YL)GLYCINE (1:1)
Systematic Name English
AR-H086959 TERT-BUTYLAMMONIUM
Code English
Code System Code Type Description
CAS
1369489-35-9
Created by admin on Sat Dec 16 14:41:39 GMT 2023 , Edited by admin on Sat Dec 16 14:41:39 GMT 2023
PRIMARY
FDA UNII
KW7K3B0F66
Created by admin on Sat Dec 16 14:41:39 GMT 2023 , Edited by admin on Sat Dec 16 14:41:39 GMT 2023
PRIMARY
PUBCHEM
138059625
Created by admin on Sat Dec 16 14:41:39 GMT 2023 , Edited by admin on Sat Dec 16 14:41:39 GMT 2023
PRIMARY
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