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Heterocyclic compounds

Valspodar

Also known as Amdray, Sdz psc 833, Psc 833

CAS 121584-18-7Formula C63H111N11O12Molar mass 1,214.65 g/mol
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Valspodar chemical structure, C63H111N11O12, CAS 121584-18-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121584-18-7
Formula
C63H111N11O12
Molar mass
1,214.65 g/mol
HS code
293379
Category
Heterocyclic compounds

What is Valspodar?

Plain description, key identifiers and synonyms

SDZ PSC 833 is a homodetic cyclic peptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CAS number
121584-18-7 CAS number cross-checked
Molecular formula
C63H111N11O12
UNII
Q7ZP55KF3X
MDL number
MFCD00907207
InChIKey
YJDYDFNKCBANTM-QCWCSKBGSA-N
InChI
InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
Canonical SMILES
CC=CCC(C)C(=O)C1C(=O)NC(C(C)C)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C
Isomeric SMILES
C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C

Synonyms

  • Amdray
  • Sdz psc 833
  • Psc 833
  • Sdz-psc-833
  • 3'-Keto-bmt(1)-val(2)-cyclosporin A
  • SDZ-PSC 833
  • valspodarum
  • Cyclosporin A, 6-[(2S,4R,6E)-4-methyl-2-(methylamino)-3-oxo-6-octenoic acid]-7-L-valine-
  • Cyclosporin D, 6-((2S,4R,6E)-4-methyl-2-methylamino)-3-oxo-6-octenoic acid)-
  • Amdray (TN)
  • Valspodar (USAN/INN)
  • 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine-cyclosporin A
  • Valspodar(PSC833)?
  • Valspodar, (PSC-833
  • SDZ PSC833
  • 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic acid]ccyclosporin
  • 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoicacid]-7-L-valinecyclosporin A
  • Cyclosporin D, 6-[(2S,4R,6E)-4-methyl-2-(methylamino)-3-oxo-6-octenoic acid]-
  • 6-[[R-(E)]-6,7-Didehydro-N,4-dimethyl-3-oxo-L -2-aminooctanoic acid]-7-L-valinecyclosporin A
  • Cyclosporin A, 6-((R-(E))-6,7-didehydro-N,4-dimethyl-3-oxo-L-2-aminooctanoic acid)-7-L-valine-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,214.65 g/molcalc.
Exact mass
1,213.8414 Dacalc.
LogP (octanol/water)
3.72calc.
Topological polar surface area
275.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
15calc.
Heavy atoms
86calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

O=C1CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

1 ring, 44 atoms.

56 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Valspodar suppliers

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All 3 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

3 suppliers in 1 country

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Valspodar price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

Pharmacology

Valspodar is an analogue of cyclosporin-A. Valspodar inhibits p-glycoprotein, the multidrug resistance efflux pump, thereby restoring the retention and activity of some drugs in some drug-resistant tumor cells. This agent also induces caspase-mediated apoptosis. (NCI04)

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Valspodar is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Valspodar is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Valspodar, based on the data on this page

What is Valspodar?

SDZ PSC 833 is a homodetic cyclic peptide.

What is the CAS number of Valspodar?

The CAS registry number of Valspodar is 121584-18-7.

What is the molecular formula and weight of Valspodar?

The molecular formula of Valspodar is C63H111N11O12 and its molar mass is 1,214.65 g/mol.

What is Valspodar used for?

Known uses and roles of Valspodar include antineoplastic agent and pharmaceutical.

Is Valspodar hazardous?

No GHS hazard classification for Valspodar is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Valspodar?

Valspodar is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Valspodar?

CompoundList lists 3 suppliers of Valspodar in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Valspodar?

Suppliers quote Valspodar on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Valspodar

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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