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Dinoprost Tromethamine
CAS: 38562-01-5 | C24H45NO8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38562-01-5
Molecular Formula:
C24H45NO8
Molecular Mass:
475.62 g/mol
Names and Synonyms:
Dinoprost Tromethamine
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9α,11α,13E,15S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (5Z,9α,11α,13E,15S)-9,11,15-trihydroxyprosta-5,13-dien-1-oate (salt)
Prostaglandin F2α THAM salt
Prostaglandin F2α tromethamine salt
Prostaglandin F2α tromethamine
THAM PGF2α
Tromethamine prostaglandin F2α
PGF2α THAM
PGF2α THAM salt
PGF2α tromethamine salt
Prostaglandin F2α tris(hydroxymethyl)aminomethane salt
U 14585
PGF2α Tris salt
Prostaglandin F2α-tham
PGF2α tromethamine
Dinoprost tromethamine
Lutalyse
U 14583E
Minprostin F2α
Prostaglandin F2α tris(hydroxymethyl)aminomethane
Dinolytic
Pronalgon F
Prostaglandin F2a tromethamine salt
NSC 196515
Lutalyze
Enzaprost T
Dinoprost trometamol
Identifiers:
SMILES:
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO
InChI:
InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
Key Properties
Melting Point
25-35 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 475.62 g/mol | CAS Common Chemistry |
| 475.6230000000002 g/mol | RDKit | |
| 475.3145173999999 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCC=CCC1C(O)CC(O)C1C=CC(O)CCCCC.OCC(N)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IYGXEHDCSOYNKY-RZHHZEQLSA-N | CAS Common Chemistry |
| Melting Point | 25-35 °C | CAS Common Chemistry |
| Name | Dinoprost tromethamine | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 184.7 Ų | RDKit |
| LogP | 0.7037000000000011 | RDKit |
| Molar Refractivity | 126.31900000000006 | RDKit |
