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Details

Stereochemistry MIXED
Molecular Formula C20H29NO3.ClH
Molecular Weight 367.91
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments ASSUMED MIXED

SHOW SMILES / InChI
Structure of N-ETHYL-2-PYRROLIDYLMETHYL PHENYLCYCLOPENTYLGLYCOLATE HYDROCHLORIDE

SMILES

Cl.CCN1CCCC1COC(=O)C(O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=ZYHGAQAAQHWBGF-UHFFFAOYSA-N
InChI=1S/C20H29NO3.ClH/c1-2-21-14-8-13-18(21)15-24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16;/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3;1H

HIDE SMILES / InChI
Molecular Formula C20H29NO3
Molecular Weight 331.4492
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED
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

Approval Year

Unknown
149,124
Substance Class Chemical
Record UNII
E3XF1ZS4VK
Record Status Validated (UNII)
Record Version
NIH
NCATS
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