CAS 869884-00-4 manufacturers and suppliers on PharmaCompass

CAS 869884-00-4

Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

Contact Supplier

Kewpie is your partner for Sodium Hyaluronate & Hyaluronic Acid// CEP, USDMF, KDMF & JDMF registered.

Contact Supplier

xyz-pharma-m-2025-03-24

Contact Supplier

Centrient is a leading manufacturer of Beta-Lactam Antibiotics and a provider of next-generation Statins and Antifungals.

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

Contact Supplier

xyz-pharma-m-2025-03-17

Contact Supplier

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Click the button for full data set

Also known as: 869884-00-4, (2s,3s)-2,3-dihydroxybutanedioic acid;(1s)-1-phenyl-1,2,3,4-tetrahydroisoquinoline, Dtxsid30470212, Akos025402094, Ac-4738, Cs-0008354

Molecular Formula

C₁₉H₂₁NO₆

Molecular Weight

359.4 g/mol

InChI Key

SZEOPQAHUUEDMC-XQIJAYBJSA-N

CAS 869884-00-4

1 2D Structure

CAS 869884-00-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3S)-2,3-dihydroxybutanedioic acid;(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

2.1.2 InChI

InChI=1S/C15H15N.C4H6O6/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;5-1(3(7)8)2(6)4(9)10/h1-9,15-16H,10-11H2;1-2,5-6H,(H,7,8)(H,9,10)/t15-;1-,2-/m00/s1

2.1.3 InChI Key

SZEOPQAHUUEDMC-XQIJAYBJSA-N

2.1.4 Canonical SMILES

C1CNC(C2=CC=CC=C21)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

C1CN[C@H](C2=CC=CC=C21)C3=CC=CC=C3.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 869884-00-4

2. (2s,3s)-2,3-dihydroxybutanedioic Acid;(1s)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

3. Dtxsid30470212

4. Akos025402094

5. Ac-4738

6. Cs-0008354

7. 884t004

8. A841903

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₁NO₆
Molecular Weight	359.4 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	359.13688739 g/mol
Monoisotopic Mass	359.13688739 g/mol
Topological Polar Surface Area	127 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Market Place

Home

Menu

Post Enquiry

Market Place

Search