U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H30N5O10P.C5H4N2O4
Molecular Weight 675.539
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TENOFOVIR DISOPROXIL OROTATE

SMILES

OC(=O)C1=CC(=O)NC(=O)N1.CC(C)OC(=O)OCOP(=O)(CO[C@H](C)CN2C=NC3=C2N=CN=C3N)OCOC(=O)OC(C)C

InChI

InChIKey=ZPQSANIZYBRYBQ-PFEQFJNWSA-N
InChI=1S/C19H30N5O10P.C5H4N2O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;8-3-1-2(4(9)10)6-5(11)7-3/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1H,(H,9,10)(H2,6,7,8,11)/t14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C5H4N2O4
Molecular Weight 156.0963
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H30N5O10P
Molecular Weight 519.4428
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:17:01 UTC 2023
Edited
by admin
on Sat Dec 16 15:17:01 UTC 2023
Record UNII
2D4WI76OMK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TENOFOVIR DISOPROXIL OROTATE
Common Name English
Tenofovir disoproxil orotate [WHO-DD]
Common Name English
2,4,6,8-TETRAOXA-5-PHOSPHANONANEDIOIC ACID, 5-(((1R)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL)-, 1,9-BIS(1-METHYLETHYL) ESTER, 5-OXIDE, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-4-PYRIMIDINECARBOXYLATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1636180-90-9
Created by admin on Sat Dec 16 15:17:02 UTC 2023 , Edited by admin on Sat Dec 16 15:17:02 UTC 2023
PRIMARY
SMS_ID
300000033400
Created by admin on Sat Dec 16 15:17:02 UTC 2023 , Edited by admin on Sat Dec 16 15:17:02 UTC 2023
PRIMARY
PUBCHEM
86582961
Created by admin on Sat Dec 16 15:17:02 UTC 2023 , Edited by admin on Sat Dec 16 15:17:02 UTC 2023
PRIMARY
FDA UNII
2D4WI76OMK
Created by admin on Sat Dec 16 15:17:02 UTC 2023 , Edited by admin on Sat Dec 16 15:17:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY