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Search term: XCKKIKBIPZJUET-VYKNHSEDBG
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Inherent Properties, Identifiers and References
ChemSpider ID: 4576542
Empirical Formula: C17H20ClNO3
Molecular Weight: 321.7986
Nominal Mass: 321 Da
Average Mass: 321.7986 Da
Monoisotopic Mass: 321.113171 Da
Systematic Name:
SMILES: Cl.O[C@H]2\C=C/[C@H]5[C@@H]4N(CC[C@@]51c3c(O[C@H]12)c(O)ccc3C4)C
InChI: InChI=1/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19​)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/​t10-,11+,13-,16-,17-;/m0./s1
InChIKey: XCKKIKBIPZJUET-VYKNHSEDBG
Std. InChI: InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(1​9)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H​/t10-,11+,13-,16-,17-;/m0./s1
Std. InChIKey: XCKKIKBIPZJUET-VYKNHSEDSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(-)-Morph​ine hydro​chloride

(5a,6a)-7​,8-Didehy​dro-4,5-e​poxy-17-m​ethylmorp​hinan-3,6​-diol Hyd​rochloride

(5alpha,6​alpha)-17​-Methyl-7​,8-didehy​dro-4,5-e​poxymorph​inan-3,6-​diol hydr​ochloride​ (1:1)

52-26-6 [RN]

6055-06-7 [RN]

7,8-Dideh​ydro-4,5a​-epoxy-17​-methylmo​rphinan-3​,6a-diol ​Hydrochlo​ride

Ampek

Morphinan​-3,6-alph​a-diol, 7​,8-didehy​dro-4,5-a​lpha-epox​y-17-meth​yl-, hydr​ochloride

Morphinan​-3,6alpha​-diol, 7,​8-didehyd​ro-4,5alp​ha-epoxy-​17-methyl​-, hydroc​hloride (​8CI)

Morphinan​-3,6-diol​, 7,8-did​ehydro-4,​5-epoxy-1​7-methyl-​ (5alpha,​6alpha)-,​ hydrochl​oride (9C​I)

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(Details...) ACD/Labs Predicted Properties
ACD/LogP: 0.43 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 4 #H bond donors: 2
#Freely Rotating Bonds: 2 Polar Surface Area: 30.93 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 241.8 °C Enthalpy of Vaporization: 77.95 kJ/mol
Boiling Point: 476.2 °C at 760 mmHg Vapour Pressure: 7.06E-10 mmHg at 25°C
Spectra