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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N5O14P3.3C4H11NO3.4H
Molecular Weight 886.5855
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRITROMETHAMINE GUANOSINE TRIPHOSPHATE

SMILES

[H+].[H+].[H+].[H+].NC(CO)(CO)CO.NC(CO)(CO)CO.NC(CO)(CO)CO.NC1=NC2=C(N=CN2[C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)C(=O)N1

InChI

InChIKey=UXNOYHQEVMMTDK-CYCLDIHTSA-N
InChI=1S/C10H16N5O14P3.3C4H11NO3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;3*5-4(1-6,2-7)3-8/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);3*6-8H,1-3,5H2/t3-,5-,6-,9-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
MOL RATIO 4 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12N5O14P3
Molecular Weight 519.1487
Charge -4
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H11NO3
Molecular Weight 121.135
Charge 0
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

PubMed

Substance Class Chemical
Record UNII
3MCN98DO06
Record Status Validated (UNII)
Record Version