MedKoo Cat#: 585392 | Name: Venelbin

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Venelbin is a drug given after the sclerosing of varicose veins that contains dihydroergotamine and troxerutin.

Chemical Structure

Venelbin
Venelbin
CAS#76515-02-1

Theoretical Analysis

MedKoo Cat#: 585392

Name: Venelbin

CAS#: 76515-02-1

Chemical Formula: C67H82N5O27S

Exact Mass: 1420.4918

Molecular Weight: 1421.46

Elemental Analysis: C, 56.61; H, 5.81; N, 4.93; O, 30.39; S, 2.26

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Venelbin
IUPAC/Chemical Name
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;methanesulfonic acid
InChi Key
UTIOPHSKTKCRGE-YMEAVVCASA-N
InChi Code
InChI=1S/C34H45O22S.C33H37N5O5/c1-15-24(39)27(42)29(44)32(53-15)52-13-22-25(40)28(43)30(45)33(54-22)55-31-26(41)23-18(38)11-17(49-7-4-35)12-21(23)56-34(31,14-57(46,47)48)16-2-3-19(50-8-5-36)20(10-16)51-9-6-37;1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h2-3,10-12,15,22,24-25,27-30,32-33,35-40,42-45H,4-9,13-14H2,1H3,(H,46,47,48);3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t15-,22+,24-,25+,27+,28-,29+,30+,32+,33-;21-,23-,25-,26+,27+,32-,33+/m01/s1
SMILES Code
O=C([C@H](C[C@]12[H])CN(C)[C@]2([H])CC3=CNC4=C3C1=CC=C4)N[C@](C(N5[C@H]6CC7=CC=CC=C7)=O)(C)O[C@@]5(O)[C@]8([H])CCCN8C6=O.O=C9C(O[C@@H]%10O[C@H](CO[C@@H]%11O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%11O)[C@@H](O)[C@H](O)[C@H]%10O)=C(CS(=O)(O)=O)(C%12=CC=C(OCCO)C(OCCO)=C%12)OC%13=C9C(O)=CC(OCCO)=C%13
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,421.46 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Dittrich P, Ostrowski J, Beubler E, Schraven E, Kukovetz W. [HPLC determination of troxerutin in plasma and urine following oral administration in man]. Arzneimittelforschung. 1985;35(4):765-7. German. PubMed PMID: 4015744. 2: Ohler R. [Supportive drug therapy of varicose veins with venelbin]. Fortschr Med. 1978 Nov 9;96(42):2173-7. German. PubMed PMID: 711110. 3: Böhme D. [Sclerosing of varicose veins and additional medication. Are disease course and results affected by combined therapy? An experience report]. ZFA (Stuttgart). 1980 May 10;56(13):953-9. German. PubMed PMID: 7415464.