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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H43ClN4O9S2
Molecular Weight 811.363
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAS-190792

SMILES

COC1=CC(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(C3=CC=CS3)C4=CC=CS4)=C(Cl)C=C1CNC[C@H](O)C5=CC=C(O)C6=C5C=CC(=O)N6

InChI

InChIKey=SNXJYSXRLKUBSZ-WBXFWKJNSA-N
InChI=1S/C39H43ClN4O9S2/c1-44(24-7-9-25(10-8-24)53-37(48)39(50,33-5-3-17-54-33)34-6-4-18-55-34)15-16-52-38(49)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)36-27(26)12-14-35(47)43-36/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,49)(H,43,47)/t24-,25-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H43ClN4O9S2
Molecular Weight 811.363
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:40:56 GMT 2023
Edited
by admin
on Sat Dec 16 18:40:56 GMT 2023
Record UNII
HFU99SBD7V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAS-190792
Code English
LAS190792
Code English
2-THIOPHENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-2-THIENYL-, TRANS-4-((2-((((2-CHLORO-4-((((2R)-2-(1,2-DIHYDRO-8-HYDROXY-2-OXO-5-QUINOLINYL)-2-HYDROXYETHYL)AMINO)METHYL)-5-METHOXYPHENYL)AMINO)CARBONYL)OXY)ETHYL)METHYLAMINO)CYCLOHEXYL ESTER
Systematic Name English
AZD 8999 [WHO-DD]
Common Name English
Code System Code Type Description
CAS
1347232-69-2
Created by admin on Sat Dec 16 18:40:56 GMT 2023 , Edited by admin on Sat Dec 16 18:40:56 GMT 2023
PRIMARY
SMS_ID
300000038847
Created by admin on Sat Dec 16 18:40:56 GMT 2023 , Edited by admin on Sat Dec 16 18:40:56 GMT 2023
PRIMARY
FDA UNII
HFU99SBD7V
Created by admin on Sat Dec 16 18:40:56 GMT 2023 , Edited by admin on Sat Dec 16 18:40:56 GMT 2023
PRIMARY
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