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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18N5O8P
Molecular Weight 391.2738
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHOXY-9-(5-O-PHOSPHONO-.BETA.-D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE

SMILES

CCOC1=NC2=C(N=CN2[C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]3O)C(N)=N1

InChI

InChIKey=LETBOINLMAWGMG-ICQCTTRCSA-N
InChI=1S/C12H18N5O8P/c1-2-23-12-15-9(13)6-10(16-12)17(4-14-6)11-8(19)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,15,16)(H2,20,21,22)/t5-,7-,8+,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H18N5O8P
Molecular Weight 391.2738
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:51:03 GMT 2023
Edited
by admin
on Sat Dec 16 04:51:03 GMT 2023
Record UNII
3NX9M1B2ZV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHOXY-9-(5-O-PHOSPHONO-.BETA.-D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE
Common Name English
FLUDARABINE PHOSPHATE IMPURITY, 2-ETHOXYPHOSPHATE ANALOG- [USP IMPURITY]
Common Name English
9H-PURIN-6-AMINE, 2-ETHOXY-9-(5-O-PHOSPHONO-.BETA.-D-ARABINOFURANOSYL)-
Common Name English
FLUDARABINE PHOSPHATE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
10194146
Created by admin on Sat Dec 16 04:51:03 GMT 2023 , Edited by admin on Sat Dec 16 04:51:03 GMT 2023
PRIMARY
CAS
159002-28-5
Created by admin on Sat Dec 16 04:51:03 GMT 2023 , Edited by admin on Sat Dec 16 04:51:03 GMT 2023
PRIMARY
FDA UNII
3NX9M1B2ZV
Created by admin on Sat Dec 16 04:51:03 GMT 2023 , Edited by admin on Sat Dec 16 04:51:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID00166559
Created by admin on Sat Dec 16 04:51:03 GMT 2023 , Edited by admin on Sat Dec 16 04:51:03 GMT 2023
PRIMARY
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