VINGLYCINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H63N5O9
Molecular Weight	854.0419
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N3CC[C@@]14C5=CC(=C(OC)C=C5N(C)[C@@]4([H])[C@](O)([C@H](OC(=O)CN(C)C)[C@]2(CC)C=CC3)C(=O)OC)[C@]6(C[C@@]7([H])CN(C[C@](O)(CC)C7)CCC8=C6NC9=C8C=CC=C9)C(=O)OC

InChI

InChIKey=YNSIUGHLISOIRQ-XGNYHKEJSA-N

InChI=1S/C48H63N5O9/c1-9-44(57)24-29-25-47(42(55)60-7,38-31(16-20-52(26-29)28-44)30-14-11-12-15-34(30)49-38)33-22-32-35(23-36(33)59-6)51(5)40-46(32)18-21-53-19-13-17-45(10-2,39(46)53)41(48(40,58)43(56)61-8)62-37(54)27-50(3)4/h11-15,17,22-23,29,39-41,49,57-58H,9-10,16,18-21,24-28H2,1-8H3/t29-,39-,40+,41+,44-,45+,46+,47-,48-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H63N5O9
Molecular Weight	854.0419
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:38:00 UTC 2023` Edited by `admin` on `Sat Dec 16 17:38:00 UTC 2023`
Record UNII	U98D43R3NC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VINGLYCINATE

Official Name

English

vinglycinate [INN]

Common Name

English

VINCALEUKOBLASTINE, O4-DEACETYL-, 4-ESTER WITH N,N-DIMETHYLGLYCINE

Common Name

English

VINCALEUKOBLASTINE, 26-(DIMETHYLAMINO)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C932