yohimbine hydrochloride

yohimbine hydrochloride

CAS: 65-19-0

Formula: C21H27ClN2O3

SMILES: Cl[H].[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2

IUPAC: methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate hydrochloride

InChI: InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15+,17-,18+,19-;/m1./s1

Composition: C (64.52%), H (6.96%), Cl (9.07%), N (7.17%), O (12.28%)

Molar Mass: 390.91

Atom Count: 54

Heavy Atom Count: 27

Properties

Properties

Common Names	yohimbine hydrochloride
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	390.1710204
Formal Charge	0
FSP3	0.57
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PIPZGJSEDRMUAW-VJDCAHTMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.63
Topological Polar Surface Area	65.56
Polarizability	40.11
Ring Count	5
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.85%	<7 Days	65-19-0		$28.05-$46.75$28.05$46.75