Secorapamycin sodium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H78NO13.Na
Molecular Weight	936.1537
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=DNMSBJYMPJMFNS-OWGFPTNRSA-M

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

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C51H78NO13
Molecular Weight	913.1639
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:53:39 GMT 2025` Edited by `admin` on `Wed Apr 02 18:53:39 GMT 2025`
Record UNII	5C22RFD4Y6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Secorapamycin

Preferred Name

English

Secorapamycin sodium

Common Name

English

2-Piperidinecarboxylic acid, 1-[oxo[tetrahydro-2-hydroxy-6-[14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-docosapentaenyl]-3-methyl-2H-pyran-2-yl]acetyl]-, monosodium salt, [2R-[2?,2(S*),3

Systematic Name

English

Secorapamycin A Sodium

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70849549

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

PRIMARY

CAS

148554-65-8

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

PRIMARY

PUBCHEM

71772273

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

PRIMARY

FDA UNII

5C22RFD4Y6

Created by admin on Wed Apr 02 18:53:39 GMT 2025 , Edited by admin on Wed Apr 02 18:53:39 GMT 2025

PRIMARY

Related Record Type Details


					ZVF9AF2S67

SECORAPAMYCIN A

PARENT -> SALT/SOLVATE

Amount: