Butorphanol tartrate

C₂₅H₃₅NO₈CAS 58786-99-5477.55 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Phenol Tertiary amine

Properties

Molecular formula: C₂₅H₃₅NO₈
Molar mass: 477.55 g/mol
Exact mass: 477.2363 Da
Melting point: 217–219 °C
logP: 1.24Crippen estimate
Polar surface area: 158.8 Å²
H-bond donors / acceptors: 6 / 7
Rotatable bonds: 5
Stereocentres: S, S, S, S, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H361 Suspected of damaging fertility or the unborn child98.9% of notifiers
H370 Causes damage to organs55.9% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure57% of notifiers
H412 Harmful to aquatic life with long lasting effects55.9% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P317, P308+P316, P318, P319, P321, P330, P405, P501

Identifiers

CAS number

58786-99-5

SMILES

O=C(O)[C@@H](O)[C@H](O)C(=O)O.Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3

InChIKey

GMTYREVWZXJPLF-AFHUBHILSA-N

InChI

InChI=1S/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;1-,2-/m10/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Morphinan-3,14-diol, 17-(cyclobutylmethyl)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
Morphinan-3,14-diol, 17-(cyclobutylmethyl)-, [S-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
Morphinan-3,14-diol, 17-(cyclobutylmethyl)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1) (salt)
Stadol
l-Butorphanol tartrate
NIH 10275
Moradol
Levo-BC 2627 tartrate
Torate
Torbugesic
Butorphic

Work with Butorphanol tartrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tartaric acid87-69-4Free acid, enantiomer D-Tartaric acid147-71-7Free acid DL-Tartaric acid133-37-9Free acid 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Potassium bitartrate868-14-4Salt, enantiomer Sodium tartrate868-18-8Salt, enantiomer Potassium sodium tartrate304-59-6Salt, enantiomer N,N-Dimethylethanolamine bitartrate5988-51-2Salt, enantiomer Potassium tartrate921-53-9Salt, enantiomer (-)-Epinephrine (+)-bitartrate51-42-3Salt, enantiomer (-)-Norepinephrine (+)-bitartrate51-40-1Salt, enantiomer Choline bitartrate87-67-2Salt, enantiomer

Similar compounds

Naltrexone16590-41-337 % similar Naltrexone hydrochloride16676-29-236 % similar Nalmefene hydrochloride58895-64-033 % similar (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-730 % similar (3R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid152286-30-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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