Yohimbine-13C-d3

CAT: 1596-AR-Y01001-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Y01001-01Size:10 Units

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CAS Number

1261254-59-4

Synonyms

(1R,2S,4aR,13bS,14aS) -methyl 2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate-13CD3; Antagonil-13CD3; Yohimbine-13CD3; Yohimbe-13CD3; Aphrodine-13CD3; Yohimbine-13CD3; Yohimbine-13CD3;17-Hydroxyyohimban-16-carboxylic acid methyl ester-13CD3; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha) --13CD3; methyl (1S,15R,18S,19R,20S) -18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate-13CD3; (1R,2S,4aR,13bS,14aS) -methyl 2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate-13CD3; Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester, -13CD3; Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester, -13CD3; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha) --13CD3; Yohimbine- (methyl-13C, d3 ester)

Molecular Formula

C21H23N2O3D3

Molecular Weight

358.46

API Name

Yohimbine

Chemical Information

Yohimbine-[13C,d3]

CAS Number	1261254-59-4
PubChem CID	117064553
IUPAC Name	trideuterio(113C)methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Formula	C21H26N2O3
Molecular Weight	358.5
XLogP	2.9
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	555

SMILES

[2H][13C]([2H])([2H])OC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O

InChI

InChI=1S/C21H26N2O3/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/t12-,15-,17-,18-,19+/m0/s1/i1+1D3

InChIKey

BLGXFZZNTVWLAY-BRIZNRDQSA-N

Chemical Structure

2D Structure

CAS: 1261254-59-4

CID: 117064553

Formula: C21H26N2O3

MW: 358.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	358.5
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	358.21652777
Monoisotopic Mass	358.21652777
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	555
Isotope Atom Count	4
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
CS-I-00539	Yohimbine-[13C, d3]
HY-12715S	Yohimbine-13C, d3
C8411-5	Yohimbine-d3
HY-17410S2	Iloperidone-13C, d3
HY-15463S3	Imatinib-13C, d3
HY-10158S1	Bosutinib-13C, d3
HY-10121S4-01	Asenapine-d3,13C
HY-B0002BS2	Ondansetron-13C, d3
HY-15651S	Alvelestat-13C, d3
HY-113432S2	Nudifloramide-13C, d3

Yohimbine-13C-d3

Chemical Information

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