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Product Overview

Product Code

TRC-R124010

CAS Number

148554-65-8

Product Format

Neat

Molecular Formula

C51H78NNaO13

Molecular Weight

936.15

API Family

Rapamycin

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

Free Acid: 147438-27-5

Documentation

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Product Information

Chemical Data

Analyte Name

(19EZ)-seco-Rapamycin Sodium

CAS Number

148554-65-8

Molecular Formula

C51H78NNaO13

Molecular Weight

936.15

Accurate Mass

935.54

SMILES

C[C@H](/C=C/C=C/C=C(\C)/[C@H](C[C@@H]1CC[C@@H](C)[C@@](C(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])(O)O1)OC)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)O)OC.[Na+]

InChI

InChI=1S/C51H79NO13.Na/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60;/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60);/q;+1/p-1/b13-11+,16-12+,23-19+,33-17+,36-28+;/t31-,32+,34-,35-,37-,38+,39+,40+,42-,43+,44-,46-,47+,51-;/m1./s1

IUPAC

sodium (S)-1-(2-((2R,3R,6S)-2-hydroxy-6-((2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl)-3-methyltetrahydro-2H-pyran-2-yl)-2-oxoacetyl)piperidine-2-carboxylate

Alternate CAS Number

Free Acid: 147438-27-5

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

API Family

Rapamycin

Product Description

A decomposition product of Rapamycin (R124000).

References: Yatscoff, R.W., et all.: Ther. Drug Monit., 17, 666 (1995), Wacher, V.J., et al.: J. Pharm. Sci., 87, 1322 (1998),

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Product Overview

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Chemical Data

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(19E/Z)-seco Rapamycin Sodium Salt (>80%)

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