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Technical details about 5-Amino-N1,N3-Bis-2,3-Dihydroxypropyl-Benzene-1,3-Dicarboxamide Hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 203515-86-0, 5-amino-n1,n3-bis(2,3-dihydroxypropyl)isophthalamide hydrochloride, 5-amino-n,n'-bis(2,3-dihydroxypropyl)isophthalamide hcl, Wb6qxv6056, 5-amino-1-n,3-n-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;hydrochloride, 1,3-benzenedicarboxamide, 5-amino-n1,n3-bis(2,3-dihydroxypropyl)-, hydrochloride (1:1)
Molecular Formula
C14H22ClN3O6
Molecular Weight
363.79  g/mol
InChI Key
GNBBCFFLJFKAHB-UHFFFAOYSA-N
FDA UNII
WB6QXV6056

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;hydrochloride
2.1.2 InChI
InChI=1S/C14H21N3O6.ClH/c15-10-2-8(13(22)16-4-11(20)6-18)1-9(3-10)14(23)17-5-12(21)7-19;/h1-3,11-12,18-21H,4-7,15H2,(H,16,22)(H,17,23);1H
2.1.3 InChI Key
GNBBCFFLJFKAHB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C=C1C(=O)NCC(CO)O)N)C(=O)NCC(CO)O.Cl
2.2 Other Identifiers
2.2.1 UNII
WB6QXV6056
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 203515-86-0

2. 5-amino-n1,n3-bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride

3. 5-amino-n,n'-bis(2,3-dihydroxypropyl)isophthalamide Hcl

4. Wb6qxv6056

5. 5-amino-1-n,3-n-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;hydrochloride

6. 1,3-benzenedicarboxamide, 5-amino-n1,n3-bis(2,3-dihydroxypropyl)-, Hydrochloride (1:1)

7. 5-amino-n,n'-bis-(2,3-dihydroxy-1-propyl)isophthalamide Hydrochloride

8. Unii-wb6qxv6056

9. Schembl1116045

10. Dtxsid70659822

11. Mfcd00137747

12. Akos015964397

13. Ac-18320

14. As-47728

15. Cs-0085390

16. F15893

17. 5-amino-n,n'-bis-(2,3-dihydroxy-propyl)-isophthalamide

18. 5-amino-1-n,3-n-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide,hydrochloride

19. 5-amino-n1,n3-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide Hydrogen Chloride (1/1)

2.4 Create Date
2010-03-02
3 Chemical and Physical Properties
Molecular Weight 363.79 g/mol
Molecular Formula C14H22ClN3O6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass363.1197131 g/mol
Monoisotopic Mass363.1197131 g/mol
Topological Polar Surface Area165 Ų
Heavy Atom Count24
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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