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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23ClF2N4O5
Molecular Weight 496.892
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATECEGATRAN METOXIL

SMILES

CONC(=N)C1=CC=C(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)C3=CC(Cl)=CC(OC(F)F)=C3)C=C1

InChI

InChIKey=XSNMGLZVFNDDPW-ZWKOTPCHSA-N
InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H23ClF2N4O5
Molecular Weight 496.892
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:10:37 UTC 2023
Edited
by admin
on Fri Dec 15 20:10:37 UTC 2023
Record UNII
4GU1D587JV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATECEGATRAN METOXIL
INN   WHO-DD  
INN  
Official Name English
ATECEGATRAN FEXENETIL
Common Name English
2-AZETIDINECARBOXAMIDE, 1-((2R)-(3-CHLORO-5-(DIFLUOROMETHOXY)PHENYL)HYDROXYACETYL)-N-((4-(IMINO(METHOXYAMINO)METHYL)PHENYL)METHYL)-, (2S)-
Systematic Name English
atecegatran metoxil [INN]
Common Name English
Atecegatran metoxil [WHO-DD]
Common Name English
(2S)-1-((2R)-2-(3-CHLORO-5-(DIFLUOROMETHOXY)PHENYL)-2-HYDROXYACETYL)-N-((4-((Z)-N'-METHOXYCARBAMIMIDOYL)PHENYL)METHYL)AZETIDINE-2-CARBOXAMIDE
Systematic Name English
AZD-0837
Code English
AZD0837
Code English
2-AZETIDINECARBOXAMIDE, 1-((2R)-2-(3-CHLORO-5-(DIFLUOROMETHOXY)PHENYL)-2-HYDROXYACETYL)-N-((4-(IMINO(METHOXYAMINO)METHYL)PHENYL)METHYL)-, (2S)-
Systematic Name English
AZD 0837 [WHO-DD]
Common Name English
Code System Code Type Description
DRUG BANK
DB12507
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
FDA UNII
4GU1D587JV
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
PUBCHEM
9961205
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
MESH
C551586
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
INN
9282
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
NCI_THESAURUS
C166758
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID80963003
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
SMS_ID
100000141573
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
EVMPD
SUB93456
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
CAS
433937-93-0
Created by admin on Fri Dec 15 20:10:37 UTC 2023 , Edited by admin on Fri Dec 15 20:10:37 UTC 2023
PRIMARY
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