1,3-dipropyl-8-{tricyclo[3.3.1.0³,⁷]nonan-3-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione



Compound number:
MolPort-006-170-076
CAS number: 136199-02-5
IUPAC:
1,3-dipropyl-8-{tricyclo[3.3.1.0³,⁷]nonan-3-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC traditional:
rolofylline
SMILES:
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |TLB:20:19:24:21.22,THB:22:23:18:21.20|
InChI key:
PJBFVWGQFLYWCB-UHFFFAOYSA-N
Molecular formula:
C20H28N4O2
Molecular weight: 356.47
Solubility: not available

Marketplace Offers

S&H to USA: 40.00 USD
S&H to World: 60.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 2 business days Purity: 99.0
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
5 mg September 29, 2020 102.85 USD
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25 mg September 29, 2020 356.95 USD
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S&H to USA: 55.00 USD
S&H to World: 55.00 USD

Supplier Catalogue Data


Catalog: Made to order Ships out: 40 business days Purity: >95%
In warehouse: Made to order
Pack size Ships out Price Qty
1 g November 20, 2020 1450.00 USD
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5 g November 20, 2020 3050.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-006-170-076
CAS number: 136199-02-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000100100396
MFCD00899862
1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-1,3-dipropyl-
8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione
8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
KW 3902
Rolofylline

InChI
InChI: 1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
InChI key: PJBFVWGQFLYWCB-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C20H28N4O2
Molecular weight: 356.47

Other

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2020 MolPort, v3.91, release date 21-09-2020 17:00 (+0200). All rights reserved.
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