AG00398D

85700-55-6 | Scopine hydrochloride

AG00398D

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CAS Number	85700-55-6
Catalog Number	AG00398D(AGN-PC-0V1V57)
Chemical Name	Scopine hydrochloride
EC Number	288-237-8
IUPAC Name	(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride
InChI	InChI=1S/C8H13NO2.ClH/c1-9-5-2-4(10)3-6(9)8-7(5)11-8;/h4-8,10H,2-3H2,1H3;1H/t4?,5-,6+,7-,8+;
InChI Key	BBBRAOXIMQHVCR-QYRWGYAXSA-N
MDL Number	MFCD00058097
Molecular Formula	C8H14ClNO2
Molecular Weight	191.6553
SMILES	CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)O.Cl
Synonyms	Scopine hydrochloride, 85700-55-6, Scopine HCl, Scopine (hydrochloride), (1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.02.4)nonan-7-ol hydrochloride, (1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride, AK161786, EINECS 288-237-8, PubChem11614, MLS006011115, 6,7-Epoxytropine hydrochloride, HY-B0459A, BBBRAOXIMQHVCR-QYRWGYAXSA-N, (1|A,2|A,4|A,5|A,7|A)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride, ACT04778, scopine hel or scopine hydrochloride, FC1277, MFCD00058097, AKOS006275399, API0005084, AS-35174, SMR004702896, AX8022870, ST24049156, SW219096-2, 700S556, C-23914, I14-7834, Q-201702, scopine inverted exclamation mark inverted exclamation markhel, (1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-ol hydrochloride, (1|A,2|A,4|A,5|A,7|A)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol,hydrochloride (1:1), C8H13NO2.ClH, C8H13NO2.HCl, C8-H13-N-O2.Cl-H, ACN-028689, CB11113, CS-4192, B2130, (1a,2,4,5a,7)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol,hydrochloride (1:1), 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, hydrochloride (1:1), (1alpha,2beta,4beta,5alpha,7beta)-,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	191.071g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.655g/mol
Monoisotopic Mass	191.071g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number