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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35NO4.ClH
Molecular Weight 450.011
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROETORPHINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@]56CC[C@@]2(OC)[C@]([H])(C6)[C@](C)(O)CCC

InChI

InChIKey=XRHDQSKAXOSHGA-DTUSRQQPSA-N
InChI=1S/C25H35NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3;1H/t17-,18-,21-,22-,23-,24+,25-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H35NO4
Molecular Weight 413.5497
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
YPU5B72OOI
Record Status Validated (UNII)
Record Version